EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C6H10O7.C23H24N4O3S |
| Net Charge | 0 |
| Average Mass | 630.676 |
| Monoisotopic Mass | 630.19956 |
| SMILES | CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(cccc13)C(=N)N2.O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C23H24N4O3S.C6H10O7/c1-26(21-10-9-20-22-18(21)3-2-4-19(22)23(24)25-20)15-16-5-7-17(8-6-16)31(28,29)27-11-13-30-14-12-27;7-1-2(8)4(5(10)11)13-6(12)3(1)9/h2-10H,11-15H2,1H3,(H2,24,25);1-4,6-9,12H,(H,10,11)/t;1-,2-,3+,4-,6+/m.0/s1 |
| InChIKey | IANJMFIEYZMNOH-HTJLRXQKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| metesind glucuronate (CHEBI:751999) is a carbohydrate acid derivative (CHEBI:63436) |
| Synonyms | Source |
|---|---|
| AG-331 | ChEMBL |
| AG331 | ChEMBL |
| Metesind glucuronate | ChEMBL |