| Name |
Buddlejoside A13 |
| Formula |
C46H56O24 |
| Mw |
992.31615272 |
| CAS RN |
140187-18-4 |
| C_ID |
C00036073
, 
|
| InChIKey |
GHRKEJJYQIVRKU-IAVOFVOCNA-N |
| InChICode |
InChI=1S/C46H56O24/c1-19-38(66-29(52)12-6-20-3-8-22(60-2)9-4-20)40(68-43-35(57)34(56)32(54)27(65-43)17-62-28(51)11-7-21-5-10-24(49)25(50)15-21)37(59)45(63-19)67-39-23-13-14-61-42(30(23)46(18-48)41(39)70-46)69-44-36(58)33(55)31(53)26(16-47)64-44/h3-15,19,23,26-27,30-45,47-50,53-59H,16-18H2,1-2H3/b11-7+,12-6+/t19-,23-,26-,27+,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45+,46-/m0/s1 |
| SMILES |
[C@H]1(O[C@@H]([C@H]([C@H]([C@H]1OC(=O)/C=C/c1ccc(cc1)OC)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)COC(=O)/C=C/c1ccc(c(c1)O)O)O)O[C@@H]1[C@@H]2[C@H]([C@]3([C@@H]1O3)CO)[C@H](OC=C2)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Buddlejaceae | Buddleja japonica Hemsl. | Ref. |
|
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