| Name |
Camelliatannin B |
| Formula |
C49H36O27 |
| Mw |
1056.14439595 |
| CAS RN |
138256-94-7 |
| C_ID |
C00009362
, 
|
| InChIKey |
PRJAEVACRCEGBP-KFWRTVTNNA-N |
| InChICode |
InChI=1S/C49H36O27/c50-15-2-1-10(3-16(15)51)42-21(56)4-11-23(73-42)8-17(52)27(32(11)58)30-29-31-28(39(65)41(67)40(29)66)26-14(7-20(55)35(61)38(26)64)48(70)76-45(44(30)75-49(31)71)43-22(57)9-72-46(68)12-5-18(53)33(59)36(62)24(12)25-13(47(69)74-43)6-19(54)34(60)37(25)63/h1-3,5-8,21-22,30,42-45,50-67H,4,9H2/t21-,22-,30+,42-,43-,44+,45+/m1/s1 |
| SMILES |
O=C1OCC(O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2[C@H]4c2c(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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