CHEBI:193990 - 2-(3,5-dimethoxyphenyl)acetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 2-(3,5-dimethoxyphenyl)acetic acid
ChEBI ID CHEBI:193990
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O4
Net Charge 0
Average Mass 196.202
Monoisotopic Mass 196.07356
InChI InChI=1S/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKey FFPAFDDLAGTGPQ-UHFFFAOYSA-N
SMILES O(C1=CC(CC(O)=O)=CC(OC)=C1)C
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-(3,5-dimethoxyphenyl)acetic acid (CHEBI:193990) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name
2-(3,5-dimethoxyphenyl)acetic acid
Manual Xref Database
121945 ChemSpider
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Registry Number Type Source
4670-10-4 CAS Registry Number ChemIDplus