CHEBI:79956 - 13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone
ChEBI ID CHEBI:79956
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H28O4
Net Charge 0
Average Mass 332.43390
Monoisotopic Mass 332.19876
InChI InChI=1S/C20H28O4/c1-19-10-12(11-21)17(22)9-13(19)3-4-14-15(19)7-8-20(2)16(14)5-6-18(23)24-20/h11,13-16,21H,3-10H2,1-2H3/b12-11-/t13-,14+,15-,16-,19-,20-/m0/s1
InChIKey IAEXPESVUCYINT-AIRXXWQKSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)\C(C[C@]34C)=C/O)[C@@H]1CCC(=O)O2
ChEBI Ontology
Outgoing 13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone (CHEBI:79956) is a organic heterotricyclic compound (CHEBI:26979)
13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone (CHEBI:79956) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
C15459 KEGG COMPOUND
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