| Name |
Pavetannin C3 |
| Formula |
C60H48O24 |
| Mw |
1152.25355247 |
| CAS RN |
170713-69-6 |
| C_ID |
C00009305
, 
|
| InChIKey |
ZFOZLANYTWCMKZ-UNIGIVMRNA-N |
| InChICode |
InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)83-60(22-4-8-28(65)33(70)12-22)59(79)50(42)47-41(84-60)18-38(75)46-49(52(78)55(82-58(46)47)21-3-7-27(64)32(69)11-21)45-37(74)17-36(73)44-48(51(77)54(81-57(44)45)20-2-6-26(63)31(68)10-20)43-35(72)16-29(66)24-15-39(76)53(80-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50+,51-,52-,53+,54-,55-,59+,60-/m0/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(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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