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CHEBI:211610 - Terresterone B

ChEBI IDCHEBI:211610
ChEBI NameTerresterone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESCC(=O)C1=CC[C@H]2C3=CCC4=C[C@H](O)[C@@H](O)[C@H](O)[C@]4(C)[C@H]3CC(=O)[C@]12C
InChIInChI=1S/C21H26O5/c1-10(22)13-6-7-14-12-5-4-11-8-16(23)18(25)19(26)20(11,2)15(12)9-17(24)21(13,14)3/h5-6,8,14-16,18-19,23,25-26H,4,7,9H2,1-3H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1
InChIKeyDLJITFFQRIHLKS-CZFMHFDVSA-N
Species of MetaboliteComponentSourceComments
Thelephora (ncbitaxon:56489) - PubMed (15744104)
ChEBI Ontology
Outgoing Relation(s)
Terresterone B (CHEBI:211610) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name 
(1R,2R,3S,9S,10R,13S,14S)-17-acetyl-1,2,3-trihydroxy-10,13-dimethyl-1,2,3,6,9,11,14,15-octahydrocyclopenta[a]phenanthren-12-one
Manual XrefsDatabases
9431900ChemSpider