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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(3,4-dimethoxyphenyl)ethane-1,2-diol
ChEBI ID CHEBI:17007
Definition An ethanediol that is ethane-1,2-diol in which a hydrogen attached to a carbon is replaced by a 3,4-dimethoxyphenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11187, CHEBI:567, CHEBI:18960
Supplier Information
Download Molfile XML SDF
Formula C10H14O4
Net Charge 0
Average Mass 198.21576
Monoisotopic Mass 198.08921
InChI InChI=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
InChIKey KFMXFWBXSCYUCM-UHFFFAOYSA-N
SMILES COc1ccc(cc1OC)C(O)CO
ChEBI Ontology
Outgoing 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
Synonyms Sources
1-(3,4-Dimethoxyphenyl)ethane-1,2-diol KEGG COMPOUND
1-(3,4-dimethoxyphenyl)ethane-1,2-diol UniProt
Manual Xref Database
C16644 KEGG COMPOUND
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Last Modified
13 November 2017