CHEBI:183662 - 3-chloro-2,6-dimethoxybenzoic acid

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ChEBI Name 3-chloro-2,6-dimethoxybenzoic acid
ChEBI ID CHEBI:183662
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H9ClO4
Net Charge 0
Average Mass 216.620
Monoisotopic Mass 216.01894
InChI InChI=1S/C9H9ClO4/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12)
InChIKey CLZTVXIMOQUOEI-UHFFFAOYSA-N
SMILES ClC1=C(OC)C(=C(OC)C=C1)C(O)=O
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-chloro-2,6-dimethoxybenzoic acid (CHEBI:183662) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name
3-chloro-2,6-dimethoxybenzoic acid
Manual Xref Database
532163 ChemSpider
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