| Name |
Theadibenzotropolone A |
| Formula |
C50H38O21 |
| Mw |
974.19055828 |
| CAS RN |
476645-32-6 |
| C_ID |
C00013290
, 
|
| InChIKey |
ONLPRKIUWSLKFG-MPHRAJERNA-N |
| InChICode |
InChI=1S/C50H38O21/c51-19-6-28(54)24-13-34(60)48(69-36(24)9-19)23-12-33(59)45(65)41-22(23)3-18(5-32(58)44(41)64)50(67)71-39-15-26-30(56)8-21(53)11-38(26)68-47(39)17-1-16-2-27(42(62)46(66)40(16)43(63)31(57)4-17)49-35(61)14-25-29(55)7-20(52)10-37(25)70-49/h1-12,34-35,39,47-49,51-56,59-62,65-66H,13-15H2,(H,57,63)(H,58,64)/t34-,35+,39+,47+,48-,49+/m1/s1 |
| SMILES |
O=C(O[C@@H]1Cc2c(O)cc(O)cc2OC1c1cc(O)c(=O)c2c(O)c(O)c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc2c1)c1cc(O)c(=O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4C[C@H]3O)c2c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
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