| Name |
Assamicain A |
| Formula |
C44H36O22 |
| Mw |
916.16982284 |
| CAS RN |
121795-66-2 |
| C_ID |
C00008930
, 
|
| InChIKey |
SKYSKYXPHIEIOH-BQUGEWOPNA-N |
| InChICode |
InChI=1S/C44H36O22/c45-18-9-21(46)19(22(47)10-18)11-33(64-43(62)16-5-29(54)39(60)30(55)6-16)35(14-1-25(50)37(58)26(51)2-14)36-24(49)13-23(48)20-12-34(65-44(63)17-7-31(56)40(61)32(57)8-17)41(66-42(20)36)15-3-27(52)38(59)28(53)4-15/h1-10,13,33-35,41,45-61H,11-12H2/t33-,34-,35-,41-/m1/s1 |
| SMILES |
O=C(O[C@H](Cc1c(O)cc(O)cc1O)[C@@H](c1cc(O)c(O)c(O)c1)c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C2)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis var. assamica  | Ref. |
|
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