| Name |
Epicatechin-(4beta->8)-catechin-(4alpha->8)-catechin-3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate) |
| Formula |
C52H44O21 |
| Mw |
1004.23750847 |
| CAS RN |
|
| C_ID |
C00009244
, 
|
| InChIKey |
LSIGTTOGQNKJQP-WSLPUUOANA-N |
| InChICode |
InChI=1S/C52H44O21/c53-22-14-31(61)38-35(15-22)70-47(20-5-8-25(55)29(59)12-20)44(66)42(38)40-33(63)18-34(64)41-43(45(67)48(73-50(40)41)21-6-9-26(56)30(60)13-21)39-32(62)17-27(57)23-16-36(71-51(68)52(69)10-2-1-3-37(52)65)46(72-49(23)39)19-4-7-24(54)28(58)11-19/h2,4-15,17-18,36,42-48,53-64,66-67,69H,1,3,16H2/t36-,42-,43+,44-,45+,46-,47-,48-,52+/m1/s1 |
| SMILES |
O=C1CCC=CC1(O)C(=O)O[C@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)c([C@H]5c6c(O)cc(O)cc6O[C@H](c6ccc(O)c(O)c6)[C@@H]5O)c4O[C@H](c4ccc(O)c(O)c4)[C@H]3O)c2O[C@@H]1c1ccc(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Salicaceae | Salix sieboldiana | Ref. |
|
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