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2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl

PropertiesImage
MNX_IDMNXM6662 Image of MNXM6662
referencechebi:141402
formulaC15H10O8
global charge-2
mol weight318.237
InChIKeyIOAGJFSRYOGIAF-UHFFFAOYSA-L
InChIInChI=1S/C15H12O8/c1-23-11-5-7(15(21)22)3-9(13(11)18)8-2-6(14(19)20)4-10(16)12(8)17/h2-5,16-18H,1H3,(H,19,20)(H,21,22)/p-2
SMILESCOC1=CC(C(=O)[O-])=CC(C2=C(O)C(O)=CC(C(=O)[O-])=C2)=C1O
MNX internals
InChI (mnx)InChI=1/C15H12O8/c1-23-11-5-7(15(21)22)3-9(13(11)18)8-2-6(14(19)20)4-10(16)12(8)17/h2-5,16-18H,1H3,(H,19,20)(H,21,22) Image of MNXM6662
SMILES (mnx)[CH3:1][O:23][C:11]1=[CH:5][C:7]([C:15](=[O:21])[OH:22])=[CH:3][C:9]([C:8]2=[C:12]([OH:17])[C:10]([OH:16])=[CH:4][C:6]([C:14](=[O:19])[OH:20])=[CH:2]2)=[C:13]1[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:141402
chebi:141402
IOAGJFSRYOGIAF-UHFFFAOYSA-L 		2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl(2-)
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate(2-)

kegg.compound:C18348
keggC:C18348
IOAGJFSRYOGIAF-UHFFFAOYSA-N 		2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl

seed.compound:cpd19613
seedM:cpd19613
IOAGJFSRYOGIAF-UHFFFAOYSA-L 		2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
OH-DDVA

metacyc.compound:CPD-11860
metacycM:CPD-11860
IOAGJFSRYOGIAF-UHFFFAOYSA-L 		2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
OH-DDVA

CHEBI:81694
chebi:81694
IOAGJFSRYOGIAF-UHFFFAOYSA-N 		5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid
2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
OH-DDVA

keggC:M_C18348
seedM:M_cpd19613 		secondary/obsolete/fantasy identifier