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CHEBI:226211 - Versisponic acid E
| Formula | C35H54O5 |
| Net Charge | 0 |
| Average Mass | 554.812 |
| Monoisotopic Mass | 554.39712 |
| SMILES | CC(=O)C[C@H]1C[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]2(C)CCC3=C(CCC4C(C)(C)[C@@H](OC(C)=O)CC[C@]34C)[C@]12C |
| InChI | InChI=1S/C35H54O5/c1-21(2)11-10-12-25(31(38)39)28-20-24(19-22(3)36)35(9)27-13-14-29-32(5,6)30(40-23(4)37)16-17-33(29,7)26(27)15-18-34(28,35)8/h11,24-25,28-30H,10,12-20H2,1-9H3,(H,38,39)/t24-,25+,28+,29?,30-,33+,34+,35-/m0/s1 |
| InChIKey | JJEXAJFYYBASLT-XLQPBREISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Laetiporus versisporus (ncbitaxon:447507) | - | PubMed (11045442) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Versisponic acid E (CHEBI:226211) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3S,10S,13R,14R,15R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-15-(2-oxopropyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78438338 | ChemSpider |