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CHEBI:17007 - 1-(3,4-dimethoxyphenyl)ethane-1,2-diol

ChEBI IDCHEBI:17007
ChEBI Name1-(3,4-dimethoxyphenyl)ethane-1,2-diol
Stars
DefinitionAn ethanediol that is ethane-1,2-diol in which a hydrogen attached to a carbon is replaced by a 3,4-dimethoxyphenyl group.
Secondary ChEBI IDsCHEBI:567, CHEBI:11187, CHEBI:18960
Last Modified13 November 2017
DownloadsMolfile
FormulaC10H14O4
Net Charge0
Average Mass198.218
Monoisotopic Mass198.08921
SMILESCOc1ccc(C(O)CO)cc1OC
InChIInChI=1S/C10H14O4/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5,8,11-12H,6H2,1-2H3
InChIKeyKFMXFWBXSCYUCM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,4-dimethoxyphenyl)ethane-1,2-diol (CHEBI:17007) is a aromatic ether (CHEBI:35618)
1-(3,4-dimethoxyphenyl)ethane-1,2-diol (CHEBI:17007) is a ethanediol (CHEBI:23976)
1-(3,4-dimethoxyphenyl)ethane-1,2-diol (CHEBI:17007) is a primary alcohol (CHEBI:15734)
1-(3,4-dimethoxyphenyl)ethane-1,2-diol (CHEBI:17007) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1-(3,4-dimethoxyphenyl)ethane-1,2-diol
Synonym  Source
1-(3,4-Dimethoxyphenyl)ethane-1,2-diolKEGG COMPOUND
UniProt Name  Source
1-(3,4-dimethoxyphenyl)ethane-1,2-diolUniProt
Manual XrefsDatabases
C16644KEGG COMPOUND