| Name |
Chakaflavonoside A |
| Formula |
C48H56O27 |
| Mw |
1064.30089659 |
| CAS RN |
1063877-20-2 |
| C_ID |
C00029929
, 
|
| InChIKey |
APENTRZXTIDHBH-AOZKQXPMNA-N |
| InChICode |
InChI=1S/C48H56O27/c1-17-30(56)41(73-46-37(63)35(61)31(57)25(14-49)69-46)39(65)45(67-17)66-16-27-33(59)42(74-47-38(64)36(62)32(58)26(15-50)70-47)44(72-28(55)11-4-18-2-7-20(51)8-3-18)48(71-27)75-43-34(60)29-23(54)12-22(53)13-24(29)68-40(43)19-5-9-21(52)10-6-19/h2-13,17,25-27,30-33,35-39,41-42,44-54,56-59,61-65H,14-16H2,1H3/b11-4+/t17-,25+,26+,27+,30-,31+,32+,33+,35-,36-,37+,38+,39+,41+,42-,44+,45+,46-,47-,48+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](OC[C@H]2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
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