| Name |
Isotheaflavin 3'-O-gallate |
| Formula |
C36H28O16 |
| Mw |
716.13773485 |
| CAS RN |
220473-67-6 |
| C_ID |
C00060831
|
| InChIKey |
GPLOTACQBREROW-AGTQRKCCSA-N |
| InChICode |
InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29+,34+,35+/m0/s1 |
| SMILES |
O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c2c(=O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3O)cc12)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
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