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CHEBI:181020 - 11,17,21-Trihydroxypregna-1,4-diene-3,20-dione

ChEBI IDCHEBI:181020
ChEBI Name11,17,21-Trihydroxypregna-1,4-diene-3,20-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESCC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO
InChIInChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3
InChIKeyOIGNJSKKLXVSLS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
11,17,21-Trihydroxypregna-1,4-diene-3,20-dione (CHEBI:181020) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
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4725ChemSpider