CHEBI:92370 - (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid
ChEBI ID CHEBI:92370
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H16O8
Net Charge 0
Average Mass 360.316
Monoisotopic Mass 360.08452
InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/t16-/m1/s1
InChIKey DOUMFZQKYFQNTF-MRXNPFEDSA-N
SMILES C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
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 (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid (CHEBI:92370) is a hydroxycinnamic acid (CHEBI:24689)
Manual Xref Database
LSM-2455 LINCS
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