| Name |
2'-(5''-O-E-Sinapoylapiosyl)betanin |
| Formula |
C40H44N2O21 |
| Mw |
888.24365649 |
| CAS RN |
923571-31-7 |
| C_ID |
C00034375
, 
|
| InChIKey |
LBRORAPQFGWAOH-RCDCRPPHNA-N |
| InChICode |
InChI=1S/C40H44N2O21/c1-57-26-9-17(10-27(58-2)30(26)46)3-4-29(45)59-15-40(56)16-60-39(34(40)49)63-33-32(48)31(47)28(14-43)62-38(33)61-25-12-19-11-23(37(54)55)42(22(19)13-24(25)44)6-5-18-7-20(35(50)51)41-21(8-18)36(52)53/h3-7,9-10,12-13,21,23,28,31-34,38-39,43-44,46-49,56H,8,11,14-16H2,1-2H3,(H,50,51)(H,52,53)(H,54,55)/b4-3+,6-5+/t21-,23-,28+,31+,32-,33+,34-,38+,39-,40+/m0/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC[C@@]2(O)CO[C@@H](O[C@H]3C(Oc4cc5c(cc4O)N(/C=C/C4=CC(C(=O)O)=N[C@H](C(=O)O)C4)[C@H](C(=O)O)C5)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cactaceae | Hylocereus purpusii | Ref. |
| Plantae | Cactaceae | Hylocereus undatus  | Ref. |
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