CHEBI:71493 - (R)-rosmarinate

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ChEBI Name (R)-rosmarinate
ChEBI ID CHEBI:71493
ChEBI ASCII Name (R)-rosmarinate
Definition A stereoisomer of rosmarinate having (R)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C18H15O8
Net Charge -1
Average Mass 359.30690
Monoisotopic Mass 359.07724
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)/p-1/b6-3+/t16-/m1/s1
InChIKey DOUMFZQKYFQNTF-WUTVXBCWSA-M
SMILES Oc1ccc(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)C([O-])=O)cc1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (R)-rosmarinate (CHEBI:71493) has role plant metabolite (CHEBI:76924)
(R)-rosmarinate (CHEBI:71493) is a rosmarinate (CHEBI:58062)
(R)-rosmarinate (CHEBI:71493) is conjugate base of (R)-rosmarinic acid (CHEBI:50371)
Incoming (R)-rosmarinic acid (CHEBI:50371) is conjugate acid of (R)-rosmarinate (CHEBI:71493)
IUPAC Name
(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoate
Synonyms Sources
(2R)-O-caffeoyl-3-(3,4-dihydroxyphenyl)lactate ChEBI
(R)-rosmarinate UniProt
Manual Xref Database
CPD-6981 MetaCyc
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21354582 PubMed citation SUBMITTER
Last Modified
17 June 2014