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CHEBI:175805 - 3-O-Methylrosmarinic acid

ChEBI IDCHEBI:175805
ChEBI Name3-O-Methylrosmarinic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O8
Net Charge0
Average Mass374.345
Monoisotopic Mass374.10017
SMILESCOc1cc(CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)ccc1O
InChIInChI=1S/C19H18O8/c1-26-16-9-12(3-6-14(16)21)10-17(19(24)25)27-18(23)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+
InChIKeyNFSDQICEPLDULQ-QPJJXVBHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-O-Methylrosmarinic acid (CHEBI:175805) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Manual XrefsDatabases
HMDB0041667HMDB
35015215ChemSpider