Name |
Camelliatannin C |
Formula |
C49H38O28 |
Mw |
1074.15496064 |
CAS RN |
154524-52-4 |
C_ID |
C00009332
, 
|
InChIKey |
CAHWVGJOCMGFBC-GPJZIRMANA-N |
InChICode |
InChI=1S/C49H38O28/c50-17-2-1-11(3-18(17)51)42-24(57)4-12-26(74-42)9-19(52)31(32(12)59)41(68)44-45(77-49(72)16-8-23(56)36(63)40(67)30(16)29-15(48(71)76-44)7-22(55)35(62)39(29)66)43-25(58)10-73-46(69)13-5-20(53)33(60)37(64)27(13)28-14(47(70)75-43)6-21(54)34(61)38(28)65/h1-3,5-9,24-25,41-45,50-68H,4,10H2/t24-,25-,41-,42-,43-,44+,45+/m1/s1 |
SMILES |
O=C1OCC(O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C(O)c2c(O)cc3c(c2O)C[C@@H](O)[C@@H](c2ccc(O)c(O)c2)O3)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Theaceae | Camellia japonica  | Ref. |
|
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