| Name |
Kandelin B1
Cinchonain-1a-(4beta->8)-epicatechin-(4beta->8)-epicatechin |
| Formula |
C54H44O21 |
| Mw |
1028.23750847 |
| CAS RN |
96182-33-1 |
| C_ID |
C00009187
, 
|
| InChIKey |
OIOFMCKFBHNNEQ-DCSREWCRNA-N |
| InChICode |
InChI=1S/C54H44O21/c55-24-5-1-18(9-29(24)60)22-14-39(69)72-38-17-36(67)44-46(48(71)50(74-53(44)40(22)38)20-3-7-26(57)31(62)11-20)43-35(66)16-34(65)42-45(47(70)51(75-54(42)43)21-4-8-27(58)32(63)12-21)41-33(64)15-28(59)23-13-37(68)49(73-52(23)41)19-2-6-25(56)30(61)10-19/h1-12,15-17,22,37,45-51,55-68,70-71H,13-14H2/t22-,37+,45+,46-,47+,48+,49+,50+,51+/m0/s1 |
| SMILES |
[C@H]1([C@H]([C@H](Oc2c1c(cc1c2[C@@H](CC(=O)O1)c1ccc(c(c1)O)O)O)c1cc(c(cc1)O)O)O)c1c2O[C@@H]([C@@H]([C@@H](c2c(cc1O)O)c1c2O[C@@H]([C@@H](Cc2c(cc1O)O)O)c1cc(c(cc1)O)O)O)c1cc(c(cc1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rhizophoraceae | Kandelia candel | Ref. |
| Plantae | Rubiaceae | Cinchona succirubra  | Ref. |
|
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