| Name |
Petunidin 3-gentiobioside |
| Formula |
C28H33O17 |
| Mw |
641.17177463 |
| CAS RN |
39814-18-1 |
| C_ID |
C00006726
, 
|
| InChIKey |
DBJVUXSMCARDEQ-UWPSSQLPNA-O |
| InChICode |
InChI=1S/C28H32O17/c1-40-15-3-9(2-13(32)19(15)33)26-16(6-11-12(31)4-10(30)5-14(11)42-26)43-28-25(39)23(37)21(35)18(45-28)8-41-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-29,34-39H,7-8H2,1H3,(H3-,30,31,32,33)/p+1/t17-,18+,20+,21+,22-,23+,24+,25+,27+,28+/m0/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)C(O)C3O)[C@@H](O)C(O)C2O)cc(O)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Berberidaceae | Berberis buxifolia  | Ref. |
| Plantae | Berberidaceae | Berberis darwinii | Ref. |
| Plantae | Myrtaceae | Eugenia jambolana | Ref. |
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