CHEBI:79584 - 17beta-(Hydroxymethyl)androst-4-en-3-one acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17beta-(Hydroxymethyl)androst-4-en-3-one acetate
ChEBI ID CHEBI:79584
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H32O3
Net Charge 0
Average Mass 344.48770
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-14(23)25-13-16-5-7-19-18-6-4-15-12-17(24)8-10-21(15,2)20(18)9-11-22(16,19)3/h12,16,18-20H,4-11,13H2,1-3H3/t16-,18+,19+,20+,21+,22-/m1/s1
InChIKey BZOKWUURHSTMML-UFMPMKONSA-N
SMILES CC(=O)OC[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 17beta-(Hydroxymethyl)androst-4-en-3-one acetate (CHEBI:79584) is a steroid ester (CHEBI:47880)
Manual Xref Database
C15064 KEGG COMPOUND
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