| Name |
Pavetannin C4 |
| Formula |
C60H48O23 |
| Mw |
1136.25863784 |
| CAS RN |
170752-91-7 |
| C_ID |
C00009271
, 
|
| InChIKey |
DDMNEODUKHWFRF-HSNGPFTINA-N |
| InChICode |
InChI=1S/C60H48O23/c61-24-6-4-23(5-7-24)60-59(78)50(42-34(70)14-25(62)15-40(42)82-60)47-41(83-60)19-38(74)46-49(52(77)55(81-58(46)47)22-3-10-29(65)33(69)13-22)45-37(73)18-36(72)44-48(51(76)54(80-57(44)45)21-2-9-28(64)32(68)12-21)43-35(71)17-30(66)26-16-39(75)53(79-56(26)43)20-1-8-27(63)31(67)11-20/h1-15,17-19,39,48-55,59,61-78H,16H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60+/m1/s1 |
| SMILES |
c1c(cc(c2c1O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@@H]([C@@H]([C@H]1c1c(cc(c2c1O[C@@H]([C@@H]([C@@H]2c1c(cc(c2c1O[C@@H]([C@@H](C2)O)c1cc(c(cc1)O)O)O)O)O)c1cc(c(cc1)O)O)O)O)O)c1cc(c(cc1)O)O)O)O)c1ccc(cc1)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Pavetta owariensis  | Ref. |
|
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