(2S)-2-(3,4-Dihydroxyphenyl)-2-hydroxyacetate (CHEBI:180987)

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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	(2S)-2-(3,4-Dihydroxyphenyl)-2-hydroxyacetate

ChEBI ID	CHEBI:180987

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H7O5

Net Charge

-1

Average Mass

183.140

Monoisotopic Mass

183.02990

InChI

InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)/p-1/t7-/m0/s1

InChIKey

RGHMISIYKIHAJW-ZETCQYMHSA-M

SMILES

O[C@@H](C1=CC(O)=C(O)C=C1)C([O-])=O

ChEBI Ontology
Outgoing	(2S)-2-(3,4-Dihydroxyphenyl)-2-hydroxyacetate (CHEBI:180987) is a catechols (CHEBI:33566)

IUPAC Name

(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetate