Rosmarinic acid

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Systematic / IUPAC Name: (2R)-3-(3,4-Dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}propanoic acid

ID: Reference8030

Other Names: (R)-Rosmarinic acid;
Labiatenic acid;
Rosemary acid;
Rosmarimic acid;
(R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4-dihydroxyphenyl)lactic acid ; more

Formula: C18H16O8

Spectral Data

Rosmarinic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 315
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/6/2018 7:31:48 AM
View Mass Spec Data > >

Identificators

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)/b6-3+/t16-/m1/s1
InChI Key DOUMFZQKYFQNTF-WUTVXBCWSA-N
Canonical SMILES C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
CAS 20283925
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Other Names (R)-Rosmarinic acid;
Labiatenic acid;
Rosemary acid;
Rosmarimic acid;
(R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4-dihydroxyphenyl)lactic acid;
(R,E)-3-(3,4-Dihydroxyphenyl)-2-{[3-(3,4-dihydroxyphenyl)acryloyl]oxy}propanoic acid ;
(2R)-O-Caffeoyl-3-(3,4-dihydroxyphenyl)lactic acid;
(2R)-3-(3,4-Dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid;
(2R)-3-(3,4-Dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid;
3,4-Dihydroxycinnamic acid (R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester;
Benzenepropanoic acid, α-{[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy}-3,4-dihydroxy- ;
Benzenepropanoic acid, α-{[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy}-3,4-dihydroxy, [R-(E)]-

In Other Databases

KEGG C10489; C01850
ChEMBL CHEMBL324842
HMDb HMDB03572
ChEBI CHEBI:50371; CHEBI:92370
PubChem 5281792
Wikipedia Rosmarinic_acid
ChemSpider 4445104
ChemIDPlus 000537155