| Name |
Pavetannin B3 |
| Formula |
C45H36O18 |
| Mw |
864.19016435 |
| CAS RN |
139906-06-2 |
| C_ID |
C00009286
, 
|
| InChIKey |
SOKYHUMNMVKLJW-GLWHMACZNA-N |
| InChICode |
InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-30-35(39(36)57)37(40(58)42(60-30)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-29(56)41(61-43(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-38,40-42,44,46-59H,12H2/t29-,37+,38-,40-,41-,42-,44-,45+/m1/s1 |
| SMILES |
c1c(cc(c2c1O[C@@]1([C@@H]([C@H]2c2c(O1)cc1c(c2O)[C@@H]([C@H]([C@H](O1)c1ccc(c(c1)O)O)O)c1c2c(c(cc1O)O)C[C@H]([C@H](O2)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Pavetta owariensis  | Ref. |
|
|
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