cid int64 1 25M | smiles stringlengths 1 1.52k | inchi stringlengths 10 3.88k ⌀ | inchikey stringlengths 27 27 ⌀ | formula stringlengths 1 29 | monoisotopic_mass stringlengths 2 15 | exact_mass stringlengths 2 15 | created_date stringdate 2004-09-16 00:00:00 2008-10-27 00:00:00 | source_snapshot stringdate 2026-09-27 00:00:00 2026-09-27 00:00:00 | has_smiles bool 1
class | has_inchi bool 2
classes | has_inchikey bool 2
classes | has_mass bool 1
class | is_live bool 1
class |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C | InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 | RDHQFKQIGNGIED-UHFFFAOYSA-N | C9H17NO4 | 203.11575802 | 203.11575802 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
2 | CC(=O)OC(CC(=O)O)C[N+](C)(C)C | InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1 | RDHQFKQIGNGIED-UHFFFAOYSA-O | C9H18NO4+ | 204.12358306 | 204.12358306 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
3 | C1=CC(C(C(=C1)C(=O)O)O)O | InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11) | INCSWYKICIYAHB-UHFFFAOYSA-N | C7H8O4 | 156.04225873 | 156.04225873 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
4 | CC(CN)O | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 | HXKKHQJGJAFBHI-UHFFFAOYSA-N | C3H9NO | 75.068413911 | 75.068413911 | 2005-03-26 | 2026-09-27 | true | true | true | true | true |
5 | C(C(=O)COP(=O)(O)O)N | InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8) | HIQNVODXENYOFK-UHFFFAOYSA-N | C3H8NO5P | 169.01400935 | 169.01400935 | 2005-06-01 | 2026-09-27 | true | true | true | true | true |
6 | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl | InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H | VYZAHLCBVHPDDF-UHFFFAOYSA-N | C6H3ClN2O4 | 201.9781343 | 201.9781343 | 2005-03-26 | 2026-09-27 | true | true | true | true | true |
7 | CCN1C=NC2=C(N=CN=C21)N | InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10) | MUIPLRMGAXZWSQ-UHFFFAOYSA-N | C7H9N5 | 163.08579531 | 163.08579531 | 2005-03-26 | 2026-09-27 | true | true | true | true | true |
8 | CCC(C)(C(C(=O)O)O)O | InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9) | PDGXJDXVGMHUIR-UHFFFAOYSA-N | C6H12O4 | 148.07355886 | 148.07355886 | 2005-06-01 | 2026-09-27 | true | true | true | true | true |
9 | C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O | InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14) | INAPMGSXUVUWAF-UHFFFAOYSA-N | C6H13O9P | 260.02971899 | 260.02971899 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
11 | C(CCl)Cl | InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 | WSLDOOZREJYCGB-UHFFFAOYSA-N | C2H4Cl2 | 97.9690055 | 97.9690055 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
12 | C1=C(C=C(C(=C1O)O)O)O | InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H | RDJUHLUBPADHNP-UHFFFAOYSA-N | C6H6O4 | 142.02660867 | 142.02660867 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
13 | C1=CC(=C(C=C1Cl)Cl)Cl | InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H | PBKONEOXTCPAFI-UHFFFAOYSA-N | C6H3Cl3 | 179.930033 | 179.930033 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
14 | CCCCCC(=O)C=CC1C(CC(=O)C1CCCCCCC(=O)O)O | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25) | VXPBDCBTMSKCKZ-UHFFFAOYSA-N | C20H32O5 | 352.22497412 | 352.22497412 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
15 | CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3 | NVKAWKQGWWIWPM-UHFFFAOYSA-N | C19H30O2 | 290.224580195 | 290.224580195 | 2005-03-25 | 2026-09-27 | true | true | true | true | true |
16 | C1CCC(=O)NCCCCCC(=O)NCC1 | InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15) | HERSSAVMHCMYSQ-UHFFFAOYSA-N | C12H22N2O2 | 226.168127949 | 226.168127949 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
17 | C1C=CC(=NC1C(=O)O)C(=O)O | InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12) | UWOCFOFVIBZJGH-UHFFFAOYSA-N | C7H7NO4 | 169.03750770 | 169.03750770 | 2005-06-01 | 2026-09-27 | true | true | true | true | true |
18 | C(C(C(C(=O)C(=O)C(=O)O)O)O)O | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13) | GJQWCDSAOUMKSE-UHFFFAOYSA-N | C6H8O7 | 192.02700259 | 192.02700259 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
19 | C1=CC(=C(C(=C1)O)O)C(=O)O | InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11) | GLDQAMYCGOIJDV-UHFFFAOYSA-N | C7H6O4 | 154.02660867 | 154.02660867 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
20 | C1=CC(=C(C(=C1)O)O)CCC(=O)O | InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12) | QZDSXQJWBGMRLU-UHFFFAOYSA-N | C9H10O4 | 182.05790880 | 182.05790880 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
21 | CCC(C(=O)C)(C(=O)O)O | InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9) | VUQLHQFKACOHNZ-UHFFFAOYSA-N | C6H10O4 | 146.05790880 | 146.05790880 | 2005-06-08 | 2026-09-27 | true | true | true | true | true |
22 | CC(=O)C(C)(C(=O)O)O | InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8) | NMDWGEGFJUBKLB-UHFFFAOYSA-N | C5H8O4 | 132.04225873 | 132.04225873 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
23 | C(=CC(=C(C(=O)O)N)C(=O)O)C=O | InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13) | KACPVQQHDVBVFC-UHFFFAOYSA-N | C7H7NO5 | 185.03242232 | 185.03242232 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
24 | C(C(C(C1(C(N(C2C(N1O)C(=O)NC(=N2)N)O)O)O)O)O)O | InChI=1S/C9H17N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2-5,7,15-17,19-22H,1H2,(H3,10,11,12,18) | SQDFRPSZAQYREW-UHFFFAOYSA-N | C9H17N5O8 | 323.10771252 | 323.10771252 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
26 | CC(=O)C(=O)C1=NC2C(N=C(NC2=O)N)N(C1O)O | InChI=1S/C9H11N5O5/c1-2(15)5(16)3-8(18)14(19)6-4(11-3)7(17)13-9(10)12-6/h4,6,8,18-19H,1H3,(H3,10,12,13,17) | FNUPJNCDWIHIRQ-UHFFFAOYSA-N | C9H11N5O5 | 269.07601847 | 269.07601847 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
28 | C(=CC(=O)O)C=C(C(=O)O)N | InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11) | ZRHONLCTYUYMIQ-UHFFFAOYSA-N | C6H7NO4 | 157.03750770 | 157.03750770 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
29 | C(=O)C(C(=O)O)N | InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7) | XMTCKNXTTXDPJX-UHFFFAOYSA-N | C3H5NO3 | 103.026943022 | 103.026943022 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
30 | C(=CC=O)C=C(C(=O)O)N | InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10) | QCGTZPZKJPTAEP-UHFFFAOYSA-N | C6H7NO3 | 141.042593085 | 141.042593085 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
31 | CC(CO)(C(COP(=O)(O)O)O)O | InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11) | XMWHRVNVKDKBRG-UHFFFAOYSA-N | C5H13O7P | 216.03988975 | 216.03988975 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
32 | C(=CC(=O)O)C=C(C(=O)O)C(=O)O | InChI=1S/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13) | SLUDRBHRUDRZJZ-UHFFFAOYSA-N | C7H6O6 | 186.01643791 | 186.01643791 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
33 | C(C=O)Cl | InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2 | QSKPIOLLBIHNAC-UHFFFAOYSA-N | C2H3ClO | 77.9872424 | 77.9872424 | 2005-03-27 | 2026-09-27 | true | true | true | true | true |
34 | C(CCl)O | InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2 | SZIFAVKTNFCBPC-UHFFFAOYSA-N | C2H5ClO | 80.0028925 | 80.0028925 | 2005-03-26 | 2026-09-27 | true | true | true | true | true |
35 | C1=CC(OC1=O)(CC(=O)O)Cl | InChI=1S/C6H5ClO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9) | WGZZDRVKIXVYEI-UHFFFAOYSA-N | C6H5ClO4 | 175.9876363 | 175.9876363 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
36 | CC(C)C(C(C(=O)O)O)C(=O)O | InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12) | RNQHMTFBUSSBJQ-UHFFFAOYSA-N | C7H12O5 | 176.06847348 | 176.06847348 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
37 | C(C(C(CO)O)O)C(=O)C(=O)O | InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12) | WPAMZTWLKIDIOP-UHFFFAOYSA-N | C6H10O6 | 178.04773803 | 178.04773803 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
38 | CC(C)(CO)C(=O)C(=O)O | InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10) | PKVVTUWHANFMQC-UHFFFAOYSA-N | C6H10O4 | 146.05790880 | 146.05790880 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
39 | CC1(COC(=O)C1=O)C | InChI=1S/C6H8O3/c1-6(2)3-9-5(8)4(6)7/h3H2,1-2H3 | HRTOQFBQOFIFEE-UHFFFAOYSA-N | C6H8O3 | 128.047344113 | 128.047344113 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
40 | C1C(C(C(OC1O)CO)O)O | InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2 | PMMURAAUARKVCB-UHFFFAOYSA-N | C6H12O5 | 164.06847348 | 164.06847348 | 2005-03-25 | 2026-09-27 | true | true | true | true | true |
41 | CSCCC(=O)C(=COP(=O)(O)O)O | InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11) | YIEMFVNCENFBSD-UHFFFAOYSA-N | C6H11O6PS | 242.00139624 | 242.00139624 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
42 | C(CC(=O)O)C(=O)C=CC=C(C(=O)O)O | InChI=1S/C9H10O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15) | RFENOVFRMPRRJI-UHFFFAOYSA-N | C9H10O6 | 214.04773803 | 214.04773803 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
43 | C(CC(=O)O)C(C(=O)O)O | InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10) | HWXBTNAVRSUOJR-UHFFFAOYSA-N | C5H8O5 | 148.03717335 | 148.03717335 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
44 | C(C(=O)[O-])(C(=O)[O-])O | InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2 | ROBFUDYVXSDBQM-UHFFFAOYSA-L | C3H2O5-2 | 117.99022316 | 117.99022316 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
45 | C(C(=O)O)(C(=O)O)O | InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8) | ROBFUDYVXSDBQM-UHFFFAOYSA-N | C3H4O5 | 120.00587322 | 120.00587322 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
46 | C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O | InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14) | OVPRPPOVAXRCED-UHFFFAOYSA-N | C6H11O9P | 258.01406892 | 258.01406892 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
47 | CCC(C)C(=O)C(=O)O | InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) | JVQYSWDUAOAHFM-UHFFFAOYSA-N | C6H10O3 | 130.062994177 | 130.062994177 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
48 | C(CC(=O)N)C(=O)C(=O)O | InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10) | COJBGNAUUSNXHX-UHFFFAOYSA-N | C5H7NO4 | 145.03750770 | 145.03750770 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
49 | CC(C)C(=O)C(=O)O | InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) | QHKABHOOEWYVLI-UHFFFAOYSA-N | C5H8O3 | 116.047344113 | 116.047344113 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
50 | C(C(C(C(C(=O)C(=O)O)O)O)O)O | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13) | VBUYCZFBVCCYFD-UHFFFAOYSA-N | C6H10O7 | 194.04265265 | 194.04265265 | 2005-03-26 | 2026-09-27 | true | true | true | true | true |
51 | C(CC(=O)O)C(=O)C(=O)O | InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) | KPGXRSRHYNQIFN-UHFFFAOYSA-N | C5H6O5 | 146.02152329 | 146.02152329 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
52 | CC(C(C)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42) | PEKYNTFSOBAABV-UHFFFAOYSA-N | C26H44N7O18P3S | 867.16763975 | 867.16763975 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
53 | CC(C(=O)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42) | NHNODHRSCRALBF-UHFFFAOYSA-N | C26H42N7O18P3S | 865.15198968 | 865.15198968 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
54 | CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41) | LYNVNYDEQMMNMZ-UHFFFAOYSA-N | C26H44N7O17P3S | 851.17272513 | 851.17272513 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
55 | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC=C1)O)O)C)C)C)C)C)C)C)C | InChI=1S/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3 | YNPGYMZVNLIZLD-UHFFFAOYSA-N | C46H70O2 | 654.53758147 | 654.53758147 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
56 | CC=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC=C1)OC)O)C)C)C)C)C)C)C | InChI=1S/C46H70O2/c1-10-11-12-20-37(2)21-13-22-38(3)23-14-24-39(4)25-15-26-40(5)27-16-28-41(6)29-17-30-42(7)31-18-32-43(8)35-36-44-33-19-34-45(48-9)46(44)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3 | MJLXNZUZQMWZTB-UHFFFAOYSA-N | C46H70O2 | 654.53758147 | 654.53758147 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
57 | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC=CC=C1O)C)C)C)C)C)C)C)C | InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3 | VUNQJPPPTJIREN-UHFFFAOYSA-N | C46H70O | 638.54266685 | 638.54266685 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
58 | CCC(=O)C(=O)O | InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7) | TYEYBOSBBBHJIV-UHFFFAOYSA-N | C4H6O3 | 102.031694049 | 102.031694049 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
59 | C(C(C(=O)O)OP(=O)(O)O)O | InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) | GXIURPTVHJPJLF-UHFFFAOYSA-N | C3H7O7P | 185.99293956 | 185.99293956 | 2005-03-25 | 2026-09-27 | true | true | true | true | true |
60 | CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O | InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25) | HTJXTKBIUVFUAR-UHFFFAOYSA-N | C14H26N3O17P3 | 601.04750736 | 601.04750736 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
61 | C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O | InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11) | XOHUEYCVLUUEJJ-UHFFFAOYSA-N | C3H8O10P2 | 265.95927044 | 265.95927044 | 2005-06-01 | 2026-09-27 | true | true | true | true | true |
62 | C1=C(C(C=C(C1O)Cl)Cl)Cl | InChI=1S/C6H5Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-3,6,10H | KRQUJBMPSDPYMT-UHFFFAOYSA-N | C6H5Cl3O | 197.940598 | 197.940598 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
63 | CC(CC(C(=O)O)N)N | InChI=1S/C5H12N2O2/c1-3(6)2-4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9) | PCEJMSIIDXUDSN-UHFFFAOYSA-N | C5H12N2O2 | 132.089877630 | 132.089877630 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
64 | C1=C(C(C=C(C1O)Cl)O)Cl | InChI=1S/C6H6Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,5-6,9-10H | CPXFTNFOQXXRBF-UHFFFAOYSA-N | C6H6Cl2O2 | 179.9744848 | 179.9744848 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
65 | C1=C(C(=CC(=C1Cl)O)Cl)O | InChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H | AYNPIRVEWMUJDE-UHFFFAOYSA-N | C6H4Cl2O2 | 177.9588348 | 177.9588348 | 2005-03-26 | 2026-09-27 | true | true | true | true | true |
66 | C1=CC(=C(C=C1Cl)O)Cl | InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H | RANCECPPZPIPNO-UHFFFAOYSA-N | C6H4Cl2O | 161.9639201 | 161.9639201 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
67 | C(C(=O)C(C(C(=O)C(=O)O)O)O)O | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13) | RXMWXENJQAINCC-UHFFFAOYSA-N | C6H8O7 | 192.02700259 | 192.02700259 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
68 | CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO | InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11) | SFRQRNJMIIUYDI-UHFFFAOYSA-N | C5H12O9P2 | 277.99565595 | 277.99565595 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
69 | CC(=O)C=CC=C(C(=O)O)O | InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11) | HVZGWILTESYJSP-UHFFFAOYSA-N | C7H8O4 | 156.04225873 | 156.04225873 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
70 | CC(C)CC(=O)C(=O)O | InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) | BKAJNAXTPSGJCU-UHFFFAOYSA-N | C6H10O3 | 130.062994177 | 130.062994177 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
71 | C(CC(=O)C(=O)O)CC(=O)O | InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) | FGSBNBBHOZHUBO-UHFFFAOYSA-N | C6H8O5 | 160.03717335 | 160.03717335 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
72 | C1=CC(=C(C=C1C(=O)O)O)O | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) | YQUVCSBJEUQKSH-UHFFFAOYSA-N | C7H6O4 | 154.02660867 | 154.02660867 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
73 | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22) | WHTCPDAXWFLDIH-UHFFFAOYSA-N | C10H15N5O10P2 | 427.02941569 | 427.02941569 | 2005-03-25 | 2026-09-27 | true | true | true | true | true |
74 | CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41) | OJFDKHTZOUZBOS-UHFFFAOYSA-N | C25H40N7O18P3S | 851.13633962 | 851.13633962 | 2005-03-25 | 2026-09-27 | true | true | true | true | true |
75 | C(CN)C=O | InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2 | PCXDJQZLDDHMGX-UHFFFAOYSA-N | C3H7NO | 73.052763847 | 73.052763847 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
76 | CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3 | FMGSKLZLMKYGDP-UHFFFAOYSA-N | C19H28O2 | 288.208930132 | 288.208930132 | 2005-03-25 | 2026-09-27 | true | true | true | true | true |
77 | CC(C)C(CC(=O)O)(C(=O)O)O | InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11) | BITYXLXUCSKTJS-UHFFFAOYSA-N | C7H12O5 | 176.06847348 | 176.06847348 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
78 | C(C(C(=O)O)N)Cl | InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7) | ASBJGPTTYPEMLP-UHFFFAOYSA-N | C3H6ClNO2 | 123.0087061 | 123.0087061 | 2005-03-26 | 2026-09-27 | true | true | true | true | true |
79 | C1=CC(=CN=C1)C#N | InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H | GZPHSAQLYPIAIN-UHFFFAOYSA-N | C6H4N2 | 104.037448136 | 104.037448136 | 2005-03-26 | 2026-09-27 | true | true | true | true | true |
80 | C1C(C(C(=O)C=C1C(=O)O)O)O | InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12) | SLWWJZMPHJJOPH-UHFFFAOYSA-N | C7H8O5 | 172.03717335 | 172.03717335 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
81 | C(C(C(C(COP(=O)(O)O)O)O)O)C(=O)C(=O)O | InChI=1S/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16) | PJWIPEXIFFQAQZ-UHFFFAOYSA-N | C7H13O10P | 288.02463360 | 288.02463360 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
82 | C=C(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O | InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18) | QUTYKIXIUDQOLK-UHFFFAOYSA-N | C10H13O10P | 324.02463360 | 324.02463360 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
84 | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=O)O)O)O | InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45) | CABVTRNMFUVUDM-UHFFFAOYSA-N | C27H44N7O20P3S | 911.15746899 | 911.15746899 | 2005-03-25 | 2026-09-27 | true | true | true | true | true |
85 | C[N+](C)(C)CC(CC(=O)O)O | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1 | PHIQHXFUZVPYII-UHFFFAOYSA-O | C7H16NO3+ | 162.11301837 | 162.11301837 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
86 | C1=CC(=C(C(=C1)O)N)C(=O)O | InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) | WJXSWCUQABXPFS-UHFFFAOYSA-N | C7H7NO3 | 153.042593085 | 153.042593085 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
87 | CC(CO)C(=O)O | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7) | DBXBTMSZEOQQDU-UHFFFAOYSA-N | C4H8O3 | 104.047344113 | 104.047344113 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
88 | CC(CO)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41) | WWEOGFZEFHPUAM-UHFFFAOYSA-N | C25H42N7O18P3S | 853.15198968 | 853.15198968 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
89 | C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N | InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) | VCKPUUFAIGNJHC-UHFFFAOYSA-N | C10H12N2O4 | 224.07970687 | 224.07970687 | 2005-03-26 | 2026-09-27 | true | true | true | true | true |
90 | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(CCC(=O)O)O)O | InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45) | OTEACGAEDCIMBS-UHFFFAOYSA-N | C27H44N7O20P3S | 911.15746899 | 911.15746899 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
91 | C1=CC(=CC(=C1)O)CCC(=O)O | InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) | QVWAEZJXDYOKEH-UHFFFAOYSA-N | C9H10O3 | 166.062994177 | 166.062994177 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
92 | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4(C=C)O)O | InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3 | BSRUJCFCZKMFMB-UHFFFAOYSA-N | C20H24N2O3 | 340.17869263 | 340.17869263 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
93 | C(CC(=O)O)C(=O)CC(=O)O | InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11) | RTGHRDFWYQHVFW-UHFFFAOYSA-N | C6H8O5 | 160.03717335 | 160.03717335 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
94 | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC(=O)O)O | InChI=1S/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15,20-22,26,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45) | VKKKAAPGXHWXOO-UHFFFAOYSA-N | C27H42N7O20P3S | 909.14181892 | 909.14181892 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
95 | C(C(C(C(=O)C(C(=O)O)O)O)O)O | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13) | WTAHRPBPWHCMHW-UHFFFAOYSA-N | C6H10O7 | 194.04265265 | 194.04265265 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
96 | CC(=O)CC(=O)O | InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7) | WDJHALXBUFZDSR-UHFFFAOYSA-N | C4H6O3 | 102.031694049 | 102.031694049 | 2005-03-26 | 2026-09-27 | true | true | true | true | true |
97 | C(C1C(C(C(C(O1)O)O)O)OC2C(C(=O)C(C(O2)CO)O)O)O | InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2 | HKKHTABTHSUDBP-UHFFFAOYSA-N | C12H20O11 | 340.10056145 | 340.10056145 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
98 | C(C(=O)C(=O)O)S | InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) | OJOLFAIGOXZBCI-UHFFFAOYSA-N | C3H4O3S | 119.98811516 | 119.98811516 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
99 | CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C | InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41) | BXIPALATIYNHJN-UHFFFAOYSA-N | C26H42N7O17P3S | 849.15707506 | 849.15707506 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
100 | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)C(=O)O)O)C)C)C)C)C)C)C)C | InChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50) | UTIBHEBNILDQKX-UHFFFAOYSA-N | C47H70O3 | 682.53249609 | 682.53249609 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
101 | C1=CC(=CC(=C1)O)C=O | InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H | IAVREABSGIHHMO-UHFFFAOYSA-N | C7H6O2 | 122.036779430 | 122.036779430 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
102 | C1=CC(=CC(=C1)O)CO | InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2 | OKVJCVWFVRATSG-UHFFFAOYSA-N | C7H8O2 | 124.052429494 | 124.052429494 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |
103 | CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C4CCC5C4(C(CC6C5C(CC7C6(CCC(=O)C7)C)O)O)C | InChI=1S/C45H72N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-24,26-31,34,36-38,42,54-55,58-59H,6-20H2,1-5H3,(H,4... | DABYNUYNLLSQQV-UHFFFAOYSA-N | C45H72N7O20P3S | 1155.37656988 | 1155.37656988 | 2005-06-23 | 2026-09-27 | true | true | true | true | true |
104 | C1C=C(OC1=O)CC(=O)O | InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1H,2-3H2,(H,7,8) | ZPEHSARSWGDCEX-UHFFFAOYSA-N | C6H6O4 | 142.02660867 | 142.02660867 | 2004-09-16 | 2026-09-27 | true | true | true | true | true |