CHEBI:79597 - 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime
ChEBI ID CHEBI:79597
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H23NO3
Net Charge 0
Average Mass 313.39080
Monoisotopic Mass 313.16779
InChI InChI=1S/C19H23NO3/c1-19-8-7-14-13-6-4-12(23-2)9-11(13)3-5-15(14)16(19)10-17(20-22)18(19)21/h4,6,9,14-16,22H,3,5,7-8,10H2,1-2H3/b20-17+/t14-,15-,16+,19+/m1/s1
InChIKey CZHINTJOYWQKED-JQQXAHOJSA-N
SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C\C(=N/O)C4=O)[C@@H]3CCc2c1
ChEBI Ontology
Outgoing 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime (CHEBI:79597) has parent hydride estrane (CHEBI:23966)
3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime (CHEBI:79597) is a steroid (CHEBI:35341)
Synonym Source
3-Methoxyestra-1,3,5(10)-trien-16-oximino-17-one KEGG COMPOUND
Manual Xref Database
C15078 KEGG COMPOUND
View more database links
Registry Number Type Source
40822-17-1 CAS Registry Number KEGG COMPOUND