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ternatin C5

MNXM2735 is deprecated and here replaced by MNXM733353
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM733353

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

formula

C₃₆H₄₀O₂₅

charge

-2

mass

872.18696

reference

chebi:58912

InChIKey

WTWWJFYJOBVFTF-KTEHMMPASA-L

InChI

InChI=1S/C36H42O25/c37-7-18-24(45)27(48)30(51)34(59-18)56-15-1-10(2-16(23(15)44)57-35-31(52)28(49)25(46)19(8-38)60-35)33-17(5-12-13(40)3-11(39)4-14(12)55-33)58-36-32(53)29(50)26(47)20(61-36)9-54-22(43)6-21(41)42/h1-5,18-20,24-32,34-38,45-53H,6-9H2,(H3-,39,40,41,42,44)/p-2/t18-,19-,20-,24-,25-,26-,27+,28+,29+,30-,31-,32-,34-,35-,36-/m1/s1

SMILES

O=C([O-])CC(=O)OC[C@H]1O[C@@H](Oc2cc3c([O-])cc([O-])cc3[o+]c2-c2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58912 chebi:58912	ternatin C5 2-[3,5-bis(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dioxidochromenium-3-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside ternatin C5 dianion ternatin C5(2-)
kegg.compound:C16303 keggC:C16303	Ternatin C5 Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3',5'-di-O-beta-D-glucoside
seed.compound:cpd15019 seedM:cpd15019	Ternatin C5 Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3',5'-di-O-beta-D-glucoside delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3',5'-di-O-beta-glucoside ternatin C5
CHEBI:55335 chebi:55335	ternatin C5 2-[3,5-bis(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
metacyc.compound:CPD-7864 metacycM:CPD-7864	ternatin C5 delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3',5'-di-O-beta-glucoside
keggC:M_C16303 seedM:M_cpd15019	secondary/obsolete/fantasy identifier