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CHEBI:167135 - 16α-hydroxygypsogenate 28-β-D-glucoside(1−)
| Formula | C36H55O11 |
| Net Charge | -1 |
| Average Mass | 663.825 |
| Monoisotopic Mass | 663.37499 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)C(=O)[O-] |
| InChI | InChI=1S/C36H56O11/c1-31(2)13-14-36(30(45)47-28-27(42)26(41)25(40)20(17-37)46-28)19(15-31)18-7-8-21-32(3)11-10-23(38)35(6,29(43)44)22(32)9-12-33(21,4)34(18,5)16-24(36)39/h7,19-28,37-42H,8-17H2,1-6H3,(H,43,44)/p-1/t19-,20+,21+,22+,23-,24+,25+,26-,27+,28+,32+,33+,34+,35-,36+/m0/s1 |
| InChIKey | HLXPBKFHRUAJIQ-WMNZDZEASA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 16α-hydroxygypsogenate 28-β-D-glucoside(1−) (CHEBI:167135) has functional parent 16α-hydroxygypsogenate(2−) (CHEBI:167134) |
| 16α-hydroxygypsogenate 28-β-D-glucoside(1−) (CHEBI:167135) is a monosaccharide derivative (CHEBI:63367) |
| 16α-hydroxygypsogenate 28-β-D-glucoside(1−) (CHEBI:167135) is a β-D-glucoside (CHEBI:22798) |
| UniProt Name | Source |
|---|---|
| 16α-hydroxygypsogenate 28-β-D-glucoside | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-9477 | MetaCyc |
| Citations |
|---|