CHEBI:79537 - 3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime
ChEBI ID CHEBI:79537
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H25NO3
Net Charge 0
Average Mass 339.429
Monoisotopic Mass 339.18344
InChI InChI=1S/C21H25NO3/c1-3-10-25-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22-24)20(21)23/h3,5,7,11,16-18,24H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,21+/m1/s1
InChIKey YEDFYMKASYROKP-WIRSXHRWSA-N
SMILES [C@]12([C@]3([C@@](C4=C(C=C(C=C4)OCC=C)CC3)(CC[C@]2(C)C(C(C1)=NO)=O)[H])[H])[H]
ChEBI Ontology
Outgoing 3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime (CHEBI:79537) has parent hydride estrane (CHEBI:23966)
3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime (CHEBI:79537) is a 17-oxo steroid (CHEBI:19168)
3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime (CHEBI:79537) is a ketoxime (CHEBI:24983)
IUPAC Name
3-(allyloxy)-16-(hydroxyimino)estra-1,3,5(10)-trien-17-one
Synonym Source
3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime KEGG COMPOUND
Manual Xref Database
C15014 KEGG COMPOUND
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Last Modified
13 March 2017