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CHEBI:183561 - 3,5-Dihydroxyergosta-7,22-dien-6-one

ChEBI IDCHEBI:183561
ChEBI Name3,5-Dihydroxyergosta-7,22-dien-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC(=O)C2(O)CC(O)CC[C@@]21C
InChIInChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-24,29,31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20?,22+,23-,24-,26+,27+,28?/m0/s1
InChIKeyKAIVGEVOBNIWLR-NSMOMACISA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
3,5-Dihydroxyergosta-7,22-dien-6-one (CHEBI:183561) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
29365070ChemSpider