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CHEBI:31189 - Allylestrenol

ChEBI IDCHEBI:31189
ChEBI NameAllylestrenol
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC21H32O
Net Charge0
Average Mass300.486
Monoisotopic Mass300.24532
SMILES[H][C@@]12CCC3=CCCC[C@]3([H])[C@@]1([H])CC[C@]1(C)[C@](O)(CC=C)CC[C@@]21[H]
InChIInChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKeyATXHVCQZZJYMCF-XUDSTZEESA-N
ChEBI Ontology
Outgoing Relation(s)
Allylestrenol (CHEBI:31189) has parent hydride estrane (CHEBI:23966)
Allylestrenol (CHEBI:31189) is a steroid (CHEBI:35341)
Synonyms  Source
AllylestrenolKEGG COMPOUND
gestaninDrugCentral
gestanolDrugCentral
gestanonDrugCentral
oragestonDrugCentral
Manual XrefsDatabases
C12811KEGG COMPOUND
D01374KEGG DRUG
125DrugCentral
HMDB0015500HMDB
Registry NumbersSources
CAS:432-60-0KEGG COMPOUND