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

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ChEBI Name 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol
ChEBI ID CHEBI:94435
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H18O3
Net Charge 0
Average Mass 234.291
Monoisotopic Mass 234.12559
InChI InChI=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
InChIKey IBLNKMRFIPWSOY-UHFFFAOYSA-N
SMILES CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O
ChEBI Ontology
Outgoing 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol (CHEBI:94435) is a phenylpropanoid (CHEBI:26004)
Synonyms Sources
diacomit DrugCentral
estiripentol DrugCentral
Manual Xrefs Databases
2480 DrugCentral
LSM-5136 LINCS
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Registry Number Type Source
49763-96-4 CAS Registry Number DrugCentral
Last Modified
22 February 2017