EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:203082 - (7beta,15alpha)-7,15-dihydroxysoyasapogenol B
| Formula | C30H50O5 |
| Net Charge | 0 |
| Average Mass | 490.725 |
| Monoisotopic Mass | 490.36582 |
| SMILES | CC1(C)C[C@@H](O)[C@]2(C)C[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5C[C@H](O)[C@]43C)[C@@H]2C1 |
| InChI | InChI=1S/C30H50O5/c1-25(2)13-18-17-8-9-19-26(3)11-10-21(32)28(5,16-31)20(26)12-22(33)30(19,7)29(17,6)24(35)15-27(18,4)23(34)14-25/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19+,20+,21-,22-,23+,24-,26+,27+,28+,29-,30-/m0/s1 |
| InChIKey | JGMQCDPAOXLHEF-CWGDJYOWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Neopestalotiopsis clavispora (ncbitaxon:289240) | - | DOI (10.1002/hlca.201000404) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (7beta,15alpha)-7,15-dihydroxysoyasapogenol B (CHEBI:203082) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,4S,4aR,6S,6aR,6bR,7S,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,6,7,9-tetrol |
| Manual Xrefs | Databases |
|---|---|
| 28185126 | ChemSpider |