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 eMolecules:6880888, ZINC000004096500 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 View more database links Registry Number Type Source 49763-96-4 CAS Registry Number DrugCentral Last Modified 22 February 2017