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CHEBI:216400 - 25-hydroxyergosta-4,6,8(14),22-tetraen-3-one

ChEBI IDCHEBI:216400
ChEBI Name25-hydroxyergosta-4,6,8(14),22-tetraen-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O2
Net Charge0
Average Mass408.626
Monoisotopic Mass408.30283
SMILESCC(/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C)C(C)(C)O
InChIInChI=1S/C28H40O2/c1-18(7-8-19(2)26(3,4)30)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,5)25(22)14-16-28(23,24)6/h7-10,17-19,23,25,30H,11-16H2,1-6H3/b8-7+/t18-,19?,23-,25?,27+,28-/m1/s1
InChIKeyUDQKCPDBYOLCPB-AXCHQRLPSA-N
Species of MetaboliteComponentSourceComments
Triangularia longicaudata (ncbitaxon:2587414) - PubMed (15305003)
ChEBI Ontology
Outgoing Relation(s)
25-hydroxyergosta-4,6,8(14),22-tetraen-3-one (CHEBI:216400) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(10R,13R,17R)-17-[(E,2R)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
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78438117ChemSpider