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(+)-dehydrodiconiferyl acid carboxylate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1366116

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₀H₁₆O₈

charge

-2

mass

384.34

reference

chebi:131935

InChIKey

JTHPLBUVRLOJBB-KCILRPRFSA-L

InChI

InChI=1S/C20H18O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,21H,1-2H3,(H,22,23)(H,24,25)/p-2/b6-3+/t17-,18+/m0/s1

SMILES

[CH3:1][O:26][c:14]1[cH:9][c:11]([C@@H:18]2[C@@H:17]([C:20](=[O:24])[OH:25])[c:12]3[cH:7][c:10](/[CH:3]=[CH:6]/[C:16](=[O:22])[OH:23])[cH:8][c:15]([O:27][CH3:2])[c:19]3[O:28]2)[cH:4][cH:5][c:13]1[OH:21]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:131935 chebi:131935	(+)-dehydrodiconiferyl acid carboxylate (+)-DCA-CC(2-) (+)-dehydrodiconiferyl acid carboxylate(2-) (2S,3S)-5-[(E)-2-carboxylatoethenyl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate
seed.compound:cpd33870 seedM:cpd33870	(+)-DCA-CC (+)-dehydrodiconiferyl acid carboxylate (2S,3S)-5-[(1E)-2-carboxyeth-1-en-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate
CHEBI:132250 chebi:132250	(+)-DCA-CC (+)-dehydrodiconiferyl acid carboxylate (2S,3S)-5-[(E)-2-carboxyethenyl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
seedM:M_cpd33870	secondary/obsolete/fantasy identifier