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CHEBI:226115 - Fomentarol B

ChEBI IDCHEBI:226115
ChEBI NameFomentarol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC=C2[C@H]3[C@H](O)[C@H](O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h7-8,10,16-20,22-25,29-32H,9,11-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,23+,24-,25-,26+,27+,28+/m0/s1
InChIKeyRAPOCBSGSDLPRY-FGHZURRLSA-N
Species of MetaboliteComponentSourceComments
Fomes fomentarius (ncbitaxon:40442) - PubMed (23747096)
ChEBI Ontology
Outgoing Relation(s)
Fomentarol B (CHEBI:226115) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,6S,7S,8S,9S,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6,7-tetrol
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78443479ChemSpider