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> Main
CHEBI:17007 - 1-(3,4-dimethoxyphenyl)ethane-1,2-diol
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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
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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
View more database links
Last Modified
13 November 2017