| Name |
Pavetannin C5 |
| Formula |
C60H46O22 |
| Mw |
1118.24807316 |
| CAS RN |
170752-92-8 |
| C_ID |
C00009272
, 
|
| InChIKey |
PGLIZSZFTGDTER-JVBRKBETNA-N |
| InChICode |
InChI=1S/C60H46O22/c61-25-7-1-21(2-8-25)53-51(74)48(43-37(72)20-41-47(55(43)78-53)49-42-34(69)15-27(63)16-39(42)79-59(80-41,57(49)75)23-4-9-26(62)10-5-23)44-35(70)18-36(71)45-50-46-40(81-60(58(50)76,82-56(44)45)24-6-12-30(65)33(68)14-24)19-31(66)28-17-38(73)52(77-54(28)46)22-3-11-29(64)32(67)13-22/h1-16,18-20,38,48-53,57-58,61-76H,17H2/t38-,48+,49-,50+,51-,52-,53+,57-,58+,59+,60+/m1/s1 |
| SMILES |
Oc1ccc([C@@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O4)[C@@H]3O)[C@@H](c3c(O)cc(O)c4c3O[C@]3(c5ccc(O)c(O)c5)Oc5cc(O)c6c(c5[C@H]4[C@@H]3O)O[C@H](c3ccc(O)c(O)c3)[C@H](O)C6)[C@H]2O)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Pavetta owariensis  | Ref. |
|
|
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