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CHEBI:197004 - Delphinidin 3-[6-(2-acetylrhamnosyl)glucoside]
| Formula | C29H33O17 |
| Net Charge | +1 |
| Average Mass | 653.566 |
| Monoisotopic Mass | 653.17123 |
| SMILES | CC(=O)O[C@H]1C(O)[C@@H](O)C(C)O[C@H]1OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C29H32O17/c1-9-20(35)24(39)27(43-10(2)30)29(42-9)41-8-19-22(37)23(38)25(40)28(46-19)45-18-7-13-14(32)5-12(31)6-17(13)44-26(18)11-3-15(33)21(36)16(34)4-11/h3-7,9,19-20,22-25,27-29,35,37-40H,8H2,1-2H3,(H4-,31,32,33,34,36)/p+1/t9?,19?,20-,22+,23-,24?,25?,27-,28+,29+/m0/s1 |
| InChIKey | WXNROFMKDXAVGX-DVDFLOFXSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cannabis sativa (ncbitaxon:3483) | inflorescence (BTO:0000628) | MetaboLights (MTBLS6032) | Strain: Cannabis sativa var. DMG265 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Delphinidin 3-[6-(2-acetylrhamnosyl)glucoside] (CHEBI:197004) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| [(2R,3S,5R)-2-[[(3S,4S,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 24842368 | ChemSpider |
| LMPK12010321 | LIPID MAPS |