EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H36O8 |
| Net Charge | 0 |
| Average Mass | 476.566 |
| Monoisotopic Mass | 476.24102 |
| SMILES | CO[C@H](C=CC=C(C)Cc1cc(O)cc(CO)c1)C(=O)C[C@H](O)[C@@H](C)C=C(C)[C@@H](O)CC(=O)O |
| InChI | InChI=1S/C26H36O8/c1-16(8-19-10-20(15-27)12-21(28)11-19)6-5-7-25(34-4)24(31)13-22(29)17(2)9-18(3)23(30)14-26(32)33/h5-7,9-12,17,22-23,25,27-30H,8,13-15H2,1-4H3,(H,32,33)/t17-,22-,23-,25+/m0/s1 |
| InChIKey | LBFKQMSGXMIQRN-XVYJZYCRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Actinosynnema pretiosum (ncbitaxon:42197) | - | PubMed (32484951) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S,6S,7S,10R)-3,7-dihydroxy-15-[3-hydroxy-5-(hydroxymethyl)phenyl]-10-methoxy-4,6,14-trimethyl-9-oxopentadeca-4,11,13-trienoic acid (CHEBI:215787) is a long-chain fatty alcohol (CHEBI:17135) |
| IUPAC Name |
|---|
| (3S,6S,7S,10R)-3,7-dihydroxy-15-[3-hydroxy-5-(hydroxymethyl)phenyl]-10-methoxy-4,6,14-trimethyl-9-oxopentadeca-4,11,13-trienoic acid |