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CHEBI:79953 - 11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone

ChEBI IDCHEBI:79953
ChEBI Name11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone
Stars
DownloadsMolfile
FormulaC19H24O4
Net Charge0
Average Mass316.397
Monoisotopic Mass316.16746
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)OC(=O)CC[C@@]21[H]
InChIInChI=1S/C19H24O4/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)23-19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
InChIKeyHRUQCNZVKJAMRO-KCZNZURUSA-N
ChEBI Ontology
Outgoing Relation(s)
11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone (CHEBI:79953) is a organic heterotricyclic compound (CHEBI:26979)
11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone (CHEBI:79953) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
C15456KEGG COMPOUND