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5,5'-dehydrodivanillate

Properties

Image

Occurences in reactions

MNX_ID

MNXM10278

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₆H₁₂O₈

charge

-2

mass

332.05431

reference

InChIKey

QGCWGSXMGCSFDM-UHFFFAOYSA-L

InChI

InChI=1S/C16H14O8/c1-23-11-5-7(15(19)20)3-9(13(11)17)10-4-8(16(21)22)6-12(24-2)14(10)18/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22)/p-2

SMILES

COc1cc(C(=O)[O-])cc(-c2cc(C(=O)[O-])cc(OC)c2O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141401 chebi:141401	5,5'-dehydrodivanillate 2,2'-dihydroxy-3,3'-dimethoxy-5,5'-dicarboxybiphenyl 5,5'-dehydrodivanillate(2-) DDVA
CHEBI:81693 chebi:81693 kegg.compound:C18347 keggC:C18347	5,5'-Dehydrodivanillate
seed.compound:cpd19612 seedM:cpd19612	5,5'-Dehydrodivanillate 2,2'-dihydroxy-3,3'-dimethoxy-5,5'-dicarboxybiphenyl 5,5'-dehydrodivanillate DDVA
metacyc.compound:CPD-11859 metacycM:CPD-11859	5,5'-dehydrodivanillate 2,2'-dihydroxy-3,3'-dimethoxy-5,5'-dicarboxybiphenyl DDVA
keggC:M_C18347 seedM:M_cpd19612	secondary/obsolete/fantasy identifier