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CHEBI:227217 - 16-O-desmethylasporyergosterol

ChEBI IDCHEBI:227217
ChEBI Name16-O-desmethylasporyergosterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O2
Net Charge0
Average Mass410.642
Monoisotopic Mass410.31848
SMILESCC(/C=C/C(C)C(C)C)=C1\[C@H](O)CC2=C3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)26-25(30)16-24-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h7-10,17-18,20-21,23,25,29-30H,11-16H2,1-6H3/b8-7+,26-19-/t18?,20-,21-,23-,25+,27-,28-/m0/s1
InChIKeyLHISSQSEJOQIGC-NKDYFMNSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cejpii (ncbitaxon:1884262) - PubMed (26440473)
ChEBI Ontology
Outgoing Relation(s)
16-O-desmethylasporyergosterol (CHEBI:227217) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,9R,10S,13S,16R,17E)-17-[(E)-5,6-dimethylhept-3-en-2-ylidene]-10,13-dimethyl-1,2,3,4,5,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-3,16-diol
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44210979ChemSpider