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CHEBI:2913 - Atractyloside
| Formula | C30H44O16S2.2K |
| Net Charge | 0 |
| Average Mass | 802.996 |
| Monoisotopic Mass | 802.13449 |
| SMILES | [H][C@@]12CC[C@@H]3C[C@@]1(CC[C@]1([H])[C@H](C(=O)O)C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]4OC(=O)CC(C)C)C[C@@]21C)[C@@H](O)C3=C.[K+].[K+] |
| InChI | InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1 |
| InChIKey | IUCNQFHEWLYECJ-FNAJZLPOSA-L |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Atractyloside (CHEBI:2913) is a organic molecular entity (CHEBI:50860) |
| Synonym | Source |
|---|---|
| Atractyloside | KEGG COMPOUND |