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CHEBI:223092 - Fomitoside H
| Formula | C42H66O11 |
| Net Charge | 0 |
| Average Mass | 746.979 |
| Monoisotopic Mass | 746.46051 |
| SMILES | COC(=O)CC(C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O)[C@@]1(C)CC3 |
| InChI | InChI=1S/C42H66O11/c1-24(2)11-10-12-25(36(47)53-35-34(46)29(43)23-51-37(35)48)26-15-19-42(8)28-13-14-30-38(3,4)31(52-33(45)22-39(5,49)21-32(44)50-9)17-18-40(30,6)27(28)16-20-41(26,42)7/h11,25-26,29-31,34-35,37,43,46,48-49H,10,12-23H2,1-9H3/t25-,26-,29-,30+,31-,34+,35-,37-,39?,40-,41-,42+/m1/s1 |
| InChIKey | DDHFHYJHYCAEKM-BVIRKNPXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis pinicola (ncbitaxon:40483) | - | PubMed (15679320) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fomitoside H (CHEBI:223092) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 1-O-methyl 5-O-[(3R,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-1-oxo-1-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-hydroxy-3-methylpentanedioate |
| Manual Xrefs | Databases |
|---|---|
| 78437714 | ChemSpider |