| 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 |
COc1ccc(/C=C/C(=O)OC2C(C)OC(OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)C(O)C2OC2OC(COC(=O)/C=C/c3ccc(O)c(O)c3)C(O)C(O)C2O)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Buddlejaceae | Buddleja japonica Hemsl. | Ref. |
|
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