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

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ChEBI Name 11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone
ChEBI ID CHEBI:79953
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H24O4
Net Charge 0
Average Mass 316.39150
Monoisotopic Mass 316.16746
InChI InChI=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
InChIKey HRUQCNZVKJAMRO-KCZNZURUSA-N
SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2
ChEBI Ontology
Outgoing 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 Xref Database
C15456 KEGG COMPOUND
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