| Name |
6'-O-Acetyl mukurozioside IIa |
| Formula |
C53H90O29 |
| Mw |
1190.55677692 |
| CAS RN |
1333170-09-4 |
| C_ID |
C00059665
|
| InChIKey |
KYCDBGDGRQBVQY-UIIBDZMOSA-N |
| InChICode |
InChI=1S/C53H90O29/c1-20(12-10-14-22(3)18-72-53-47(82-51-43(69)39(65)33(59)26(7)76-51)44(34(60)28(17-54)77-53)79-48-40(66)36(62)30(56)23(4)73-48)11-9-13-21(2)15-16-70-52-46(81-50-42(68)38(64)32(58)25(6)75-50)45(35(61)29(78-52)19-71-27(8)55)80-49-41(67)37(63)31(57)24(5)74-49/h11,15,22-26,28-54,56-69H,9-10,12-14,16-19H2,1-8H3/b20-11+,21-15+/t22-,23-,24-,25-,26-,28+,29+,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46+,47+,48-,49-,50-,51-,52+,53+/m0/s1 |
| SMILES |
CC(=O)OCC1OC(OCC=C(C)CCC=C(C)CCCC(C)COC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Sapindus mukorossi  | Ref. |
|
|
zoom in
| Organism | Sapindus mukorossi |
|---|
| Reference | https://doi.org/10.1080/14786419.2019.1577837
https://doi.org/10.7538/zpxb.2017.0055 |
|---|
|
