| Name |
Kandelin B3 |
| Formula |
C54H44O21 |
| Mw |
1028.23750847 |
| CAS RN |
96156-06-8 |
| C_ID |
C00009101
, 
|
| InChIKey |
QICJRPKJCWDGPR-CZMDCPSRNA-N |
| InChICode |
InChI=1S/C54H44O21/c55-22-13-34(65)40-37(14-22)72-50(20-3-7-27(58)32(63)11-20)47(70)42(40)44-46(69)45-43(41-35(66)17-29(60)24-15-36(67)49(74-52(24)41)19-2-6-26(57)31(62)10-19)48(71)51(21-4-8-28(59)33(64)12-21)75-54(45)39-23(16-38(68)73-53(39)44)18-1-5-25(56)30(61)9-18/h1-14,17,23,36,42-43,47-51,55-67,69-71H,15-16H2/t23-,36+,42-,43+,47-,48+,49+,50+,51+/m0/s1 |
| SMILES |
O=C1C[C@@H](c2ccc(O)c(O)c2)c2c3c(c(O)c([C@@H]4c5c(O)cc(O)cc5O[C@H](c5ccc(O)c(O)c5)[C@H]4O)c2O1)[C@H](c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2)[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rhizophoraceae | Kandelia candel | Ref. |
|
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