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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16162 -
o
-orsellinate
Main
ChEBI Ontology
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ChEBI Name
o
-orsellinate
ChEBI ID
CHEBI:16162
ChEBI ASCII Name
o-orsellinate
Definition
A dihydroxybenzoate that is the conjugate base of
o
-orsellinic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11441, CHEBI:14700, CHEBI:25724
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Formula
C8H7O4
Net Charge
-1
Average Mass
167.13878
Monoisotopic Mass
167.03498
InChI
InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)/p-1
InChIKey
AMKYESDOVDKZKV-UHFFFAOYSA-M
SMILES
Cc1cc(O)cc(O)c1C([O-])=O
ChEBI Ontology
Outgoing
o
-orsellinate (
CHEBI:16162
)
is a
dihydroxybenzoate (
CHEBI:36084
)
o
-orsellinate (
CHEBI:16162
)
is conjugate base of
o
-orsellinic acid (
CHEBI:32807
)
Incoming
o
-orsellinic acid (
CHEBI:32807
)
is conjugate acid of
o
-orsellinate (
CHEBI:16162
)
IUPAC Name
2,4-dihydroxy-6-methylbenzoate
Synonym
Source
orsellinate
UniProt
Manual Xref
Database
CPD-47
MetaCyc
View more database links
Registry Number
Type
Source
14405027
Reaxys Registry Number
Reaxys
Last Modified
10 February 2015