CHEBI:79522 - 10-Hydroxyestra-1,4-dien-3-one acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 10-Hydroxyestra-1,4-dien-3-one acetate
ChEBI ID CHEBI:79522
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H26O3
Net Charge 0
Average Mass 314.41860
Monoisotopic Mass 314.18819
InChI InChI=1S/C20H26O3/c1-13(21)23-20-11-7-15(22)12-14(20)5-6-16-17-4-3-9-19(17,2)10-8-18(16)20/h7,11-12,16-18H,3-6,8-10H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1
InChIKey GFPFWODQGPZXMQ-VYJAJWGXSA-N
SMILES CC(=O)O[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@H]21
ChEBI Ontology
Outgoing 10-Hydroxyestra-1,4-dien-3-one acetate (CHEBI:79522) is a steroid ester (CHEBI:47880)
Manual Xref Database
C14999 KEGG COMPOUND
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