CHEBI:174151 - Vanillin 1,2-butylene glycol acetal

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ChEBI Name Vanillin 1,2-butylene glycol acetal
ChEBI ID CHEBI:174151
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C12H16O4
Net Charge 0
Average Mass 224.256
Monoisotopic Mass 224.10486
InChI InChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3
InChIKey JZJHVHUFPUYAJF-UHFFFAOYSA-N
SMILES O1C(C(OC1C2=CC(OC)=C(O)C=C2)C)C
ChEBI Ontology
Outgoing Vanillin 1,2-butylene glycol acetal (CHEBI:174151) is a methoxybenzenes (CHEBI:51683)
Vanillin 1,2-butylene glycol acetal (CHEBI:174151) is a phenols (CHEBI:33853)
IUPAC Name
4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
Manual Xrefs Databases
21106006 ChemSpider
HMDB0032552 HMDB
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Registry Number Type Source
63253-24-7 CAS Registry Number ChemIDplus