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CHEBI:50371 - (R)-rosmarinic acid

ChEBI IDCHEBI:50371
ChEBI Name(R)-rosmarinic acid
Stars
ASCII Name(R)-rosmarinic acid
DefinitionA stereoisomer of rosmarinic acid having (R)-configuration.
Last Modified27 October 2021
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC18H16O8
Net Charge0
Average Mass360.318
Monoisotopic Mass360.08452
SMILESO=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
InChIInChI=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)/b6-3+/t16-/m1/s1
InChIKeyDOUMFZQKYFQNTF-WUTVXBCWSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
(2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid
Synonyms  Source
Rosmarinic acidKEGG COMPOUND
(2R)-O-caffeoyl-3-(3,4-dihydroxyphenyl)lactic acidChEBI
Manual XrefsDatabases
ROAPDBeChem
C01850KEGG COMPOUND
CPD-6981MetaCyc
WO2010074764Patent
WO2008072941Patent
WO2008032212Patent
HMDB0003572HMDB
Rosmarinic_acidWikipedia
C00002770KNApSAcK
Registry NumbersSources
Reaxys:2227587Reaxys
CAS:20283-92-5KEGG COMPOUND
CAS:20283-92-5ChemIDplus
Citations