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CHEBI:204433 - Terresterone A

ChEBI IDCHEBI:204433
ChEBI NameTerresterone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O4
Net Charge0
Average Mass342.435
Monoisotopic Mass342.18311
SMILESCC(=O)C1=CC[C@H]2C3=CCC4=C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC(=O)[C@]12C
InChIInChI=1S/C21H26O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5-6,8,15-18,23-24H,4,7,9-10H2,1-3H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKeyBYQIJKZHMIZGDV-JPRZGNOKSA-N
Species of MetaboliteComponentSourceComments
Thelephora (ncbitaxon:56489) - PubMed (15744104)
ChEBI Ontology
Outgoing Relation(s)
Terresterone A (CHEBI:204433) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name 
(2S,3S,9S,10R,13S,14S)-17-acetyl-2,3-dihydroxy-10,13-dimethyl-1,2,3,6,9,11,14,15-octahydrocyclopenta[a]phenanthren-12-one
Manual XrefsDatabases
9500289ChemSpider