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CHEBI:68082 - ganodesterone

ChEBI IDCHEBI:68082
ChEBI Nameganodesterone
Stars
DefinitionAn ergostanoid that is (22E)-ergosta-4,7,22-triene substituted by oxo groups at positions 3 and 6. It has been isolated from the fungus, Xylaria species.
Last Modified21 January 2014
DownloadsMolfile
FormulaC28H40O2
Net Charge0
Average Mass408.626
Monoisotopic Mass408.30283
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=CC(=O)CC[C@@]21C
InChIInChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24H,9-14H2,1-6H3/b8-7+/t18-,19+,22+,23-,24-,27+,28+/m0/s1
InChIKeyRMKUNHROPPZENV-IXWATKSXSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (21428374) Endolichenic fungi isolated from Leptogium saturninum and EtOAc extract of fermented rice substrate
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
ganodesterone (CHEBI:68082) has role fungal metabolite (CHEBI:76946)
ganodesterone (CHEBI:68082) is a 3-oxo Δ7-steroid (CHEBI:71598)
ganodesterone (CHEBI:68082) is a 3-oxo-Δ4 steroid (CHEBI:47909)
ganodesterone (CHEBI:68082) is a 6-oxo steroid (CHEBI:36883)
ganodesterone (CHEBI:68082) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(22E)-ergosta-4,7,22-triene-3,6-dione
Registry NumbersSources
Reaxys:6535306Reaxys
Citations