EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:213839 - Versisponic acid D
| Formula | C33H52O5 |
| Net Charge | 0 |
| Average Mass | 528.774 |
| Monoisotopic Mass | 528.38147 |
| SMILES | C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(C)C |
| InChI | InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)25-18-28(38-21(4)34)33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(25,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26?,27+,28+,31-,32-,33-/m1/s1 |
| InChIKey | RJOPQRPLBQGRDI-BSPVNXNHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Laetiporus versisporus (ncbitaxon:447507) | - | PubMed (11045442) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Versisponic acid D (CHEBI:213839) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3S,10S,13R,14R,15S,17R)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78437500 | ChemSpider |