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(R)-rosmarinate

Properties Image MNX_ID MNXM731509 reference chebi:71493 formula C18H15O8 global charge -1 mol weight 359.31 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-] MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [cH:1]1[cH:4][c:12]([OH:19])[c:14]([OH:21])[cH:7][c:10]1/[CH:3]=[CH:6]/[C:17](=[O:23])[O:26][C@H:16]([CH2:9][c:11]1[cH:2][cH:5][c:13]([OH:20])[c:15]([OH:22])[cH:8]1)[C:18](=[O:24])[OH:25]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:CPD-6981 metacycM:CPD-6981 CHEBI:71493 chebi:71493 DOUMFZQKYFQNTF-WUTVXBCWSA-M	(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 DOUMFZQKYFQNTF-WUTVXBCWSA-N	(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 DOUMFZQKYFQNTF-WUTVXBCWSA-N	Rosmaric acid
seed.compound:cpd01273 seedM:cpd01273 DOUMFZQKYFQNTF-WUTVXBCWSA-M	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 DOUMFZQKYFQNTF-WUTVXBCWSA-N	Rosmarinate Rosmarinic acid
hmdb:HMDB0003572 DOUMFZQKYFQNTF-WUTVXBCWSA-N	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 (Z)-Rosmarinic acid Labiatenic acid Labiatic acid Rosemaric acid Rosemary acid Rosmarinate Rosmarinic acid, (R-(e))-isomer rosemary acid trans-Rosmarinic acid
hmdb:HMDB0002887 hmdb:HMDB02887 hmdb:HMDB03572 keggC:M_C01850 seedM:M_cpd01273	secondary/obsolete/fantasy identifier