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CHEBI:34173 - 16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone

ChEBI IDCHEBI:34173
ChEBI Name16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H24O4
Net Charge0
Average Mass340.419
Monoisotopic Mass340.16746
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@]1(C)C3=CC(=O)O[C@@]3([H])C[C@@]21[H]
InChIInChI=1S/C21H24O4/c1-20-6-5-12(22)7-11(20)3-4-13-14-8-17-15(9-18(24)25-17)21(14,2)10-16(23)19(13)20/h7,9,13-14,17,19H,3-6,8,10H2,1-2H3/t13-,14-,17-,19+,20-,21-/m0/s1
InChIKeyRBULKOMEEZXUGR-BIOQOPCMSA-N
ChEBI Ontology
Outgoing Relation(s)
16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone (CHEBI:34173) is a 11-oxo steroid (CHEBI:47787)
Synonym  Source
16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactoneKEGG COMPOUND
Manual XrefsDatabases
C14637KEGG COMPOUND
Registry NumbersSources
CAS:337-68-8KEGG COMPOUND