CHEBI:79941 - 3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol
ChEBI ID CHEBI:79941
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H28O3
Net Charge 0
Average Mass 328.44520
Monoisotopic Mass 328.20384
InChI InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19+,20+,21+/m1/s1
InChIKey GVKVGOGUDSJCLX-OFELHODLSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C[C@H](O)[C@@H]2O
ChEBI Ontology
Outgoing 3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79941) has parent hydride estrane (CHEBI:23966)
3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79941) is a steroid (CHEBI:35341)
Synonym Source
3-(2-Propenyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol KEGG COMPOUND
Manual Xref Database
C15443 KEGG COMPOUND
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