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CHEBI:58912 - ternatin C5(2−)

ChEBI IDCHEBI:58912
ChEBI Nameternatin C5(2−)
Stars
ASCII Nameternatin C5(2-)
DefinitionDianion of ternatin C5 arising from deprotonation of the malonyl carboxy and 5-and 7- hydroxy groups.
Last Modified1 May 2017
DownloadsMolfile
FormulaC36H40O25
Net Charge-2
Average Mass872.691
Monoisotopic Mass872.18696
SMILESO=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
InChIInChI=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
InChIKeyWTWWJFYJOBVFTF-KTEHMMPASA-L
ChEBI Ontology
Outgoing Relation(s)
ternatin C5(2−) (CHEBI:58912) is a monocarboxylic acid anion (CHEBI:35757)
ternatin C5(2−) (CHEBI:58912) is conjugate base of ternatin C5 (CHEBI:55335)
Incoming Relation(s)
ternatin C5 (CHEBI:55335) is conjugate acid of ternatin C5(2−) (CHEBI:58912)
IUPAC Name 
2-[3,5-bis(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dioxidochromenium-3-yl 6-O-(carboxylatoacetyl)-β-D-glucopyranoside
Synonym  Source
ternatin C5 dianionChEBI
UniProt Name  Source
ternatin C5UniProt