CHEBI:79669 - 17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate
ChEBI ID CHEBI:79669
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H26O4
Net Charge 0
Average Mass 318.40730
Monoisotopic Mass 318.18311
InChI InChI=1S/C19H26O4/c1-11(20)22-17-7-5-15-13-3-6-16-14(4-8-18(21)23-16)12(13)9-10-19(15,17)2/h4,8,12-17H,3,5-7,9-10H2,1-2H3/t12-,13+,14+,15-,16+,17-,19-/m0/s1
InChIKey HLTJNNHJVDFQJM-XENJLOSESA-N
SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4OC(=O)C=C[C@@H]4[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate (CHEBI:79669) is a oxo steroid (CHEBI:35789)
Manual Xref Database
C15151 KEGG COMPOUND
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