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eugeniin

MNXM12983 is deprecated and here replaced by MNXM727913
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM727913

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

formula

C₄₁H₃₀O₂₆

charge

mass

938.10253

reference

chebi:4916

InChIKey

JCGHAEBIBSEQAD-UUUCSUBKSA-N

InChI

InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1

SMILES

O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4916 chebi:4916	eugeniin (11aR,13S,14R,15S,15aR)-2,3,4,5,6,7-hexahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-13,14,15-triyl tris(3,4,5-trihydroxybenzoate) 1,2,3-trigalloyl-4,6-hexahydroxydiphenoyl beta-D-glucopyranose Cornustannin 2 Eugeniin Tellimagrandin II beta-D-Glucopyranose,cyclic4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)1,2,3-tris(3,4,5-trihydroxybenzoate)
kegg.compound:C10224 keggC:C10224	Eugeniin Tellimagrandin II
seed.compound:cpd07113 seedM:cpd07113	Eugeniin Tellimagrandin II cornustannin 2 eugeniin tellimagrandin II
metacyc.compound:CPD-8949 metacycM:CPD-8949	tellimagrandin II cornustannin 2 eugeniin
CHEBI:145905 chebi:145905	tellimagrandin II tellimagrandin II(1-)
chebi:65872 keggC:M_C10224 seedM:M_cpd07113	secondary/obsolete/fantasy identifier