EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223951 - 6,9-epoxy-ergosta-7, 22-dien-3-ol

ChEBI IDCHEBI:223951
ChEBI Name6,9-epoxy-ergosta-7, 22-dien-3-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)C1CCC2C3=C[C@@H]4O[C@@]3(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC41
InChIInChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-16-25-24-15-20(29)11-12-27(24,6)28(23,30-25)14-13-26(21,22)5/h7-8,16-22,24-25,29H,9-15H2,1-6H3/b8-7+/t18-,19+,20-,21?,22?,24?,25-,26+,27-,28+/m0/s1
InChIKeyXSBIAMRLXDVYMG-NFIFLUETSA-N
Species of MetaboliteComponentSourceComments
Mycena dendrobii (ncbitaxon:1604731) - DOI (10.5281/zenodo.3541332)
ChEBI Ontology
Outgoing Relation(s)
6,9-epoxy-ergosta-7, 22-dien-3-ol (CHEBI:223951) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,4R,11S,14S,17S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-4,17-dimethyl-18-oxapentacyclo[9.6.1.01,9.04,8.012,17]octadec-9-en-14-ol
Manual XrefsDatabases
78443787ChemSpider