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CHEBI:198123 - 7-hydroxyergosterol

ChEBI IDCHEBI:198123
ChEBI Name7-hydroxyergosterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)C1CC[C@H]2C3=C(O)C=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
InChIInChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-24,29-30H,9-15H2,1-6H3/b8-7+/t18-,19+,21-,22?,23-,24?,27-,28+/m0/s1
InChIKeyFRIHYFDWJYSSFE-FPSYJCJRSA-N
Species of MetaboliteComponentSourceComments
Lignincola laevis (ncbitaxon:45814) - DOI (10.1351/pac199466102391)
ChEBI Ontology
Outgoing Relation(s)
7-hydroxyergosterol (CHEBI:198123) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,10R,13R,14R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Manual XrefsDatabases
78442452ChemSpider