| Name |
Praecoxin B |
| Formula |
C34H26O22 |
| Mw |
786.09157252 |
| CAS RN |
86154-09-8 |
| C_ID |
C00035373
, 
|
| InChIKey |
JUSIDEHFVDFXNU-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C34H26O22/c35-7-20-30(56-34(52)12-6-18(41)26(46)28(48)22(12)21-11(33(51)54-20)5-17(40)25(45)27(21)47)29(55-32(50)10-3-15(38)24(44)16(39)4-10)19(42)8-53-31(49)9-1-13(36)23(43)14(37)2-9/h1-7,19-20,29-30,36-48H,8H2/t19-,20-,29+,30-/m0/s1 |
| SMILES |
c12c(C(=O)O[C@@H]([C@@H](OC(=O)c3c1c(c(c(c3)O)O)O)C=O)[C@@H]([C@@H](O)COC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)cc(c(c2O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Tibouchina semidecandra | Ref. |
|
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