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rosmarinic acid

MNXM722836 is deprecated and here replaced by MNXM731508
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM731508

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

formula

C₁₈H₁₆O₈

charge

mass

360.08452

reference

InChIKey

DOUMFZQKYFQNTF-ZZXKWVIFSA-N

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+

SMILES

O=C(/C=C/c1ccc(O)c(O)c1)OC(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:17226 chebi:17226	rosmarinic acid 3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid R-(+)-2-(3,4-Dihydroxycinnamoyloxy)-3-(3,4-dihydroxyphenyl)propionic acid alpha-(((3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy- benzenepropanoic acid
CHEBI:58062 chebi:58062	rosmarinate 3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate rosmarinate anion rosmarinate(1-)
chebi:15055 chebi:26582 chebi:8894 chebi:8895	secondary/obsolete/fantasy identifier