EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:204916 - Versisponic acid A
| Formula | C30H48O5 |
| Net Charge | 0 |
| Average Mass | 488.709 |
| Monoisotopic Mass | 488.35017 |
| SMILES | C/C(=C/CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)CO |
| InChI | InChI=1S/C30H48O5/c1-18(17-31)8-7-9-19(26(34)35)22-16-25(33)30(6)21-10-11-23-27(2,3)24(32)13-14-28(23,4)20(21)12-15-29(22,30)5/h8,19,22-25,31-33H,7,9-17H2,1-6H3,(H,34,35)/b18-8-/t19-,22-,23?,24+,25+,28-,29-,30-/m1/s1 |
| InChIKey | SOVHMVOSATVEJW-HUVVMHTFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Laetiporus versisporus (ncbitaxon:447507) | - | PubMed (11045442) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Versisponic acid A (CHEBI:204916) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (Z,2R)-2-[(3S,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78437216 | ChemSpider |