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CHEBI:198363 - Fomentarol D

ChEBI IDCHEBI:198363
ChEBI NameFomentarol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O9
Net Charge0
Average Mass606.797
Monoisotopic Mass606.37678
SMILESC[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C34H54O9/c1-17(7-8-18(2)32(3,4)41)22-15-25(42-31-30(40)29(39)28(38)26(16-35)43-31)27-20-14-24(37)23-13-19(36)9-11-33(23,5)21(20)10-12-34(22,27)6/h7-8,14,17-19,21-23,25-31,35-36,38-41H,9-13,15-16H2,1-6H3/b8-7+/t17-,18+,19+,21+,22-,23-,25+,26-,27-,28-,29+,30-,31-,33-,34-/m1/s1
InChIKeyMMWWBXILAPWVEK-SDCDWHJDSA-N
Species of MetaboliteComponentSourceComments
Fomes fomentarius (ncbitaxon:40442) - PubMed (23747096)
ChEBI Ontology
Outgoing Relation(s)
Fomentarol D (CHEBI:198363) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,9R,10R,13R,14R,15S,17R)-3-hydroxy-17-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
78443468ChemSpider