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CHEBI:55335 - ternatin C5
| Formula | C36H43O25 |
| Net Charge | +1 |
| Average Mass | 875.715 |
| Monoisotopic Mass | 875.20879 |
| 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 |
| 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+1/t18-,19-,20-,24-,25-,26-,27+,28+,29+,30-,31-,32-,34-,35-,36-/m1/s1 |
| InChIKey | WTWWJFYJOBVFTF-KTEHMMPASA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ternatin C5 (CHEBI:55335) has functional parent delphinidin (CHEBI:28436) |
| ternatin C5 (CHEBI:55335) is a anthocyanin cation (CHEBI:35218) |
| ternatin C5 (CHEBI:55335) is a β-D-glucoside (CHEBI:22798) |
| ternatin C5 (CHEBI:55335) is conjugate acid of ternatin C5(2−) (CHEBI:58912) |
| Incoming Relation(s) |
| ternatin C5(2−) (CHEBI:58912) is conjugate base of ternatin C5 (CHEBI:55335) |
| IUPAC Name |
|---|
| 2-[3,5-bis(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside |