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(-)-dehydrodiconiferyl acid carboxylate

Properties

Image

Occurences in reactions

MNX_ID

MNXM117360

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₀H₁₆O₈

charge

-2

mass

384.08561

reference

chebi:131934

InChIKey

JTHPLBUVRLOJBB-VCPQXCNPSA-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+/m1/s1

SMILES

COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@H]2C(=O)[O-])ccc1O

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:131934 chebi:131934	(-)-dehydrodiconiferyl acid carboxylate (-)-DCA-CC(2-) (-)-dehydrodiconiferyl acid carboxylate(2-) (2R,3R)-5-[(E)-2-carboxylatoethenyl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate
seed.compound:cpd35236 seedM:cpd35236	(-)-DCA-CC (-)-dehydrodiconiferyl acid carboxylate (2R,3R)-5-[(1E)-2-carboxyeth-1-en-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate
CHEBI:132249 chebi:132249	(-)-DCA-CC (-)-dehydrodiconiferyl acid carboxylate (2R,3R)-5-[(E)-2-carboxyethenyl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
metacyc.compound:CPD-17079 metacycM:CPD-17079	(-)-dehydrodiconiferyl acid carboxylate (-)-DCA-CC (2R,3R)-5-[(1E)-2-carboxyeth-1-en-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate
seedM:M_cpd35236	secondary/obsolete/fantasy identifier