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CHEBI:169485 - Delphinidin 3-(6''-malonylsambubioside)
| Formula | C29H31O19 |
| Net Charge | +1 |
| Average Mass | 683.548 |
| Monoisotopic Mass | 683.14541 |
| SMILES | O=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O |
| InChI | InChI=1S/C29H30O19/c30-10-3-12(31)11-5-17(26(45-16(11)4-10)9-1-13(32)21(38)14(33)2-9)46-29-27(48-28-25(42)22(39)15(34)7-44-28)24(41)23(40)18(47-29)8-43-20(37)6-19(35)36/h1-5,15,18,22-25,27-29,34,39-42H,6-8H2,(H5-,30,31,32,33,35,36,38)/p+1/t15-,18?,22?,23-,24?,25-,27?,28+,29-/m1/s1 |
| InChIKey | QYSFQBVCEXFFIK-LJNMZLHKSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Delphinidin 3-(6''-malonylsambubioside) (CHEBI:169485) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| 3-[[(3S,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 24842352 | ChemSpider |
| LMPK12010305 | LIPID MAPS |