Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid (CHEBI:179449)

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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	Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid

ChEBI ID	CHEBI:179449

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H11NO5

Net Charge

Average Mass

237.211

Monoisotopic Mass

237.06372

InChI

InChI=1S/C11H11NO5/c1-17-9(14)5-11(16)7-4-6(13)2-3-8(7)12-10(11)15/h2-4,13,16H,5H2,1H3,(H,12,15)

InChIKey

YPPHXVJCTQPTBV-UHFFFAOYSA-N

SMILES

OC1(C2=C(NC1=O)C=CC(O)=C2)CC(OC)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid (CHEBI:179449) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name

methyl 2-(3,5-dihydroxy-2-oxo-1H-indol-3-yl)acetate