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CHEBI:198996 - (14alpha,22E)-14-hydroxyergosta-7,22-diene-3,6-dione

ChEBI IDCHEBI:198996
ChEBI Name(14alpha,22E)-14-hydroxyergosta-7,22-diene-3,6-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H42O3/c1-17(2)18(3)7-8-19(4)21-11-14-28(31)23-16-25(30)24-15-20(29)9-12-26(24,5)22(23)10-13-27(21,28)6/h7-8,16-19,21-22,24,31H,9-15H2,1-6H3/b8-7+/t18-,19+,21+,22-,24?,26+,27+,28+/m0/s1
InChIKeyYVONXZZGYWHPNV-CYHKETEUSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (22999074)
ChEBI Ontology
Outgoing Relation(s)
(14alpha,22E)-14-hydroxyergosta-7,22-diene-3,6-dione (CHEBI:198996) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(9R,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-14-hydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione
Manual XrefsDatabases
78442274ChemSpider