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(R)-rosmarinate

Properties

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Occurences in reactions

MNX_ID

MNXM731509

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₁₈H₁₅O₈

charge

-1

mass

359.07724

reference

InChIKey

DOUMFZQKYFQNTF-WUTVXBCWSA-M

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

SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71493 chebi:71493	(R)-rosmarinate (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoate (2R)-O-caffeoyl-3-(3,4-dihydroxyphenyl)lactate
CHEBI:50371 chebi:50371	(R)-rosmarinic acid (2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid (2R)-O-caffeoyl-3-(3,4-dihydroxyphenyl)lactic acid Rosmarinic acid
sabiork.compound:18856 sabiorkM:18856	Rosmaric acid
seed.compound:cpd01273 seedM:cpd01273	Rosmarinate (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoate Rosmarinic acid rosmarinate rosmarinic acid rosmary acid
kegg.compound:C01850 keggC:C01850	Rosmarinate Rosmarinic acid
hmdb:HMDB0003572	Rosmarinic acid (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid (2R)-O-Caffeoyl-3-(3,4-dihydroxyphenyl)lactate (2R)-O-Caffeoyl-3-(3,4-dihydroxyphenyl)lactic acid (R)-Rosmarinate Labiatenic acid Labiatic acid Rosemaric acid Rosemary acid Rosmarinate Rosmarinic acid, (R-(e))-isomer rosemary acid trans-Rosmarinic acid
metacyc.compound:CPD-6981 metacycM:CPD-6981	rosmarinate (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoate rosmarinic acid rosmary acid
hmdb:HMDB0002887 hmdb:HMDB02887 hmdb:HMDB03572 keggC:M_C01850 seedM:M_cpd01273	secondary/obsolete/fantasy identifier