3-hydroxy-3-(3-methoxyphenyl)propanoic acid (CHEBI:190846)

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CHEBI:190846 - 3-hydroxy-3-(3-methoxyphenyl)propanoic acid

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ChEBI ID	CHEBI:190846
ChEBI Name	3-hydroxy-3-(3-methoxyphenyl)propanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H12O4
Net Charge	0
Average Mass	196.202
Monoisotopic Mass	196.07356
SMILES	COc1cccc(C(O)CC(=O)O)c1
InChI	InChI=1S/C10H12O4/c1-14-8-4-2-3-7(5-8)9(11)6-10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKey	IJHBKSOZRYYPAN-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Oryza sativa (ncbitaxon:4530)	root (BTO:0001188)	MetaboLights (MTBLS4362)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	3-hydroxy-3-(3-methoxyphenyl)propanoic acid (CHEBI:190846) is a benzenes (CHEBI:22712)
	3-hydroxy-3-(3-methoxyphenyl)propanoic acid (CHEBI:190846) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name
3-hydroxy-3-(3-methoxyphenyl)propanoic acid

Manual Xrefs	Databases
HMDB0133490	HMDB
25666105	ChemSpider