CHEBI:125489 - 3-(3-methoxy-4-phenylmethoxyphenyl)-2-oxopropanoic acid

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ChEBI Name 3-(3-methoxy-4-phenylmethoxyphenyl)-2-oxopropanoic acid
ChEBI ID CHEBI:125489
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H16O5
Net Charge 0
Average Mass 300.307
Monoisotopic Mass 300.09977
InChI InChI=1S/C17H16O5/c1-21-16-10-13(9-14(18)17(19)20)7-8-15(16)22-11-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,19,20)
InChIKey SFMKYOIUXKXHGF-UHFFFAOYSA-N
SMILES COC1=C(C=CC(=C1)CC(=O)C(=O)O)OCC2=CC=CC=C2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-(3-methoxy-4-phenylmethoxyphenyl)-2-oxopropanoic acid (CHEBI:125489) has functional parent pyruvic acid (CHEBI:32816)
3-(3-methoxy-4-phenylmethoxyphenyl)-2-oxopropanoic acid (CHEBI:125489) is a 2-oxo monocarboxylic acid (CHEBI:35910)
Manual Xref Database
LSM-36989 LINCS
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