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CHEBI:223580 - Ganodermalactone S
| Formula | C30H46O4 |
| Net Charge | 0 |
| Average Mass | 470.694 |
| Monoisotopic Mass | 470.33961 |
| SMILES | CC1=C[C@H](O)[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4)OC1=O |
| InChI | InChI=1S/C30H46O4/c1-17-16-22(31)25(34-26(17)33)18(2)19-10-14-30(7)21-8-9-23-27(3,4)24(32)12-13-28(23,5)20(21)11-15-29(19,30)6/h16,18-19,22-25,31-32H,8-15H2,1-7H3/t18-,19+,22-,23-,24-,25+,28+,29+,30-/m0/s1 |
| InChIKey | CLOMVFJUKDTVMR-SNLWPZNCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tomophagusspecies (ncbitaxon:2782489) | - | PubMed (30983350) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ganodermalactone S (CHEBI:223580) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| (2R,3S)-3-hydroxy-2-[(1S)-1-[(3S,5R,10S,13R,14R,17R)-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]ethyl]-5-methyl-2,3-dihydropyran-6-one |