EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:183533 - Ganoderenic acid A
| Formula | C30H42O7 |
| Net Charge | 0 |
| Average Mass | 514.659 |
| Monoisotopic Mass | 514.29305 |
| SMILES | C/C(=C\C(=O)CC(C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O |
| InChI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,23,32,35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16?,18-,19+,21?,23+,28+,29-,30+/m1/s1 |
| InChIKey | OVUOUFPIPZJGME-HRKVNZLKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma lucidum (ncbitaxon:5315) | |||
| fruit body (BTO:0000487) | MetaboLights (MTBLS3577) | ||
| primordium (BTO:0001886) | MetaboLights (MTBLS3577) | ||
| - | DOI (10.1016/0031-9422(89)85036-8) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ganoderenic acid A (CHEBI:183533) is a triterpenoid (CHEBI:36615) |
| IUPAC Names |
|---|
| (E)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid |
| (E)-6-[(7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid |
| Registry Numbers | Sources |
|---|---|
| CAS:100665-40-5 | ChemIDplus |