Threo-L-3-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxybutanoic acid (CHEBI:189362)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Threo-L-3-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxybutanoic acid

ChEBI ID	CHEBI:189362

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H14O7

Net Charge

Average Mass

270.237

Monoisotopic Mass

270.07395

InChI

InChI=1S/C12H14O7/c1-5-3-7(13)4-8(14)9(5)12(18)19-6(2)10(15)11(16)17/h3-4,6,10,13-15H,1-2H3,(H,16,17)/t6-,10+/m1/s1

InChIKey

FVDXFIDUJCLVRQ-LDWIPMOCSA-N

SMILES

O([C@@H]([C@H](O)C(O)=O)C)C(=O)C=1C(=CC(O)=CC1O)C

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in leaf (BTO:0000713). See: MetaboLights Study

ChEBI Ontology
Outgoing	Threo-L-3-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxybutanoic acid (CHEBI:189362) is a 4-hydroxybenzoate ester (CHEBI:79323)

IUPAC Name

(2S,3R)-3-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxybutanoic acid