EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H42O8 |
| Net Charge | 0 |
| Average Mass | 530.658 |
| Monoisotopic Mass | 530.28797 |
| SMILES | CC(CC(=O)C[C@](C)(O)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(=O)O |
| InChI | InChI=1S/C30H42O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h12,15,17,19,21,32,34,38H,8-11,13-14H2,1-7H3,(H,36,37)/t15?,17-,19?,21-,27-,28+,29-,30-/m0/s1 |
| InChIKey | OJQDQVKLMQPWJL-CZCMAUKGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma resinaceum (ncbitaxon:34465) | - | PubMed (29490285) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Resinacein H (CHEBI:215545) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (6S)-6-[(3S,7S,10S,13R,14R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442398 | ChemSpider |