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

ChEBI IDCHEBI:79941
ChEBI Name3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol
Stars
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILES[H][C@@]12CCc3cc(OCC=C)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@@H](O)C[C@@]21[H]
InChIInChI=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
InChIKeyGVKVGOGUDSJCLX-OFELHODLSA-N
ChEBI Ontology
Outgoing Relation(s)
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-diolKEGG COMPOUND
Manual XrefsDatabases
C15443KEGG COMPOUND