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CHEBI:94435 - 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol

ChEBI IDCHEBI:94435
ChEBI Name1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESCC(C)(C)C(O)C=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3
InChIKeyIBLNKMRFIPWSOY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol (CHEBI:94435) is a phenylpropanoid (CHEBI:26004)
Synonyms  Source
diacomitDrugCentral
estiripentolDrugCentral
Manual XrefsDatabases
LSM-5136LINCS
2480DrugCentral
Registry NumbersSources
CAS:49763-96-4DrugCentral