CHEBI:79590 - 17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one
ChEBI ID CHEBI:79590
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H30O2
Net Charge 0
Average Mass 302.45100
Monoisotopic Mass 302.22458
InChI InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16(18(12)13)6-8-19(2)17(15)7-9-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t12?,15-,16+,17+,19+,20+/m1/s1
InChIKey LNILKVZKBQKVRH-HCHYHSJESA-N
SMILES CC1CC(=O)CC2=C1[C@H]1CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]1CC2
ChEBI Ontology
Outgoing 17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (CHEBI:79590) is a oxo steroid (CHEBI:35789)
Manual Xref Database
C15070 KEGG COMPOUND
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