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CHEBI:55336 - delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside-3'-O-β-D-glucoside
| Formula | C30H33O20 |
| Net Charge | +1 |
| Average Mass | 713.574 |
| Monoisotopic Mass | 713.15597 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)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/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-2-9(1-13(34)21(15)38)28-16(5-11-12(33)3-10(32)4-14(11)46-28)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p+1/t17-,18-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 |
| InChIKey | YHLZPXCREROAPG-YEQKKNNOSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside-3'-O-β-D-glucoside (CHEBI:55336) has functional parent delphinidin (CHEBI:28436) |
| delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside-3'-O-β-D-glucoside (CHEBI:55336) is a anthocyanin cation (CHEBI:35218) |
| delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside-3'-O-β-D-glucoside (CHEBI:55336) is a β-D-glucoside (CHEBI:22798) |
| delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside-3'-O-β-D-glucoside (CHEBI:55336) is conjugate acid of delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside-3'-O-β-D-glucoside(1−) (CHEBI:58913) |
| Incoming Relation(s) |
| delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside-3'-O-β-D-glucoside(1−) (CHEBI:58913) is conjugate base of delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside-3'-O-β-D-glucoside (CHEBI:55336) |
| IUPAC Name |
|---|
| 2-[3-(β-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside |
| Manual Xrefs | Databases |
|---|---|
| C16304 | KEGG COMPOUND |