| Name |
Isotheaflavin |
| Formula |
C29H24O12 |
| Mw |
564.12677623 |
| CAS RN |
31701-93-6 |
| C_ID |
C00051007
|
| InChIKey |
IPMYMEWFZKHGAX-UAXQSFCUNA-N |
| InChICode |
InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22+,28+,29+/m0/s1 |
| SMILES |
O=c1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(O)c12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
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