| Name |
Kandelin A1
Cinchonain-1a-(4beta->8)-catechin |
| Formula |
C39H32O15 |
| Mw |
740.17412036 |
| CAS RN |
88903-77-9 |
| C_ID |
C00002929
, 
|
| InChIKey |
NWZBNZUABGSPSN-FAKKEVPYNA-N |
| InChICode |
InChI=1S/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2/t17-,28+,34+,35-,36-,37-/m1/s1 |
| SMILES |
c12c(c3c(c(c1)O)[C@@H]([C@H]([C@H](O3)c1cc(c(cc1)O)O)O)c1c(cc(c3c1O[C@@H]([C@H](C3)O)c1cc(c(cc1)O)O)O)O)[C@H](CC(=O)O2)c1ccc(c(c1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rhizophoraceae | Kandelia candel | Ref. |
|
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