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CHEBI:227890 - (22E,24R)-ergosta-4,7,22-trien-3beta,9alpha,14beta-trihydroxyl-6-one

ChEBI IDCHEBI:227890
ChEBI Name(22E,24R)-ergosta-4,7,22-trien-3beta,9alpha,14beta-trihydroxyl-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O4
Net Charge0
Average Mass442.640
Monoisotopic Mass442.30831
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]2(O)C3=CC(=O)C4=C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
InChIInChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)21-10-12-27(31)24-16-23(30)22-15-20(29)9-11-25(22,5)28(24,32)14-13-26(21,27)6/h7-8,15-21,29,31-32H,9-14H2,1-6H3/b8-7+/t18-,19+,20-,21+,25-,26+,27-,28+/m0/s1
InChIKeyBDWGQDKFPHYOII-XIFZEACXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (31494344)
ChEBI Ontology
Outgoing Relation(s)
(22E,24R)-ergosta-4,7,22-trien-3beta,9alpha,14beta-trihydroxyl-6-one (CHEBI:227890) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,9S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,9,14-trihydroxy-10,13-dimethyl-1,2,3,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-6-one