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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS ; Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 3
No. of Spectra 2619
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/22/2025 2:38:50 PM
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

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