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3-O-Methylrosmarinic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM117586

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

formula

C₁₉H₁₈O₈

charge

mass

374.10017

reference

InChIKey

NFSDQICEPLDULQ-QPJJXVBHSA-N

InChI

InChI=1S/C19H18O8/c1-26-16-9-12(3-6-14(16)21)10-17(19(24)25)27-18(23)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+

SMILES

COc1cc(CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175805 chebi:175805	3-O-Methylrosmarinic acid 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
hmdb:HMDB0041667	3-O-Methylrosmarinic acid 2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-(4-hydroxy-3-methoxyphenyl)propanoate 2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-(4-hydroxy-3-methoxyphenyl)propanoic acid 3-O-Methylrosmarinate
hmdb:HMDB41667	secondary/obsolete/fantasy identifier