Name |
Barbatoside A Barbatoside A(Campanula barbata) |
Formula |
C28H40O18 |
Mw |
664.22146448 |
CAS RN |
342641-86-5 |
C_ID |
C00036791
,
|
InChIKey |
YDMRZBOHBKNSOH-WCIDCAKYNA-N |
InChICode |
InChI=1S/C28H40O18/c1-28(8-17(32)33,46-27-24(40)22(38)20(36)16(11-30)44-27)9-18(34)42-5-3-4-12-6-13(31)25(14(7-12)41-2)45-26-23(39)21(37)19(35)15(10-29)43-26/h3-4,6-7,15-16,19-24,26-27,29-31,35-40H,5,8-11H2,1-2H3,(H,32,33)/b4-3+/t15-,16-,19-,20-,21+,22+,23-,24-,26-,27+,28+/m1/s1 |
SMILES |
c1(c(c(cc(c1)/C=C/COC(=O)C[C@@](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(CC(=O)O)C)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Campanulaceae/Lobeliaceae | Campanula barbata L. | Ref. |
Plantae | Caryophyllaceae | Dianthus barbatus | Ref. |
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