| Name |
Aquifoliunine E-I
(-)-Aquifoliunine E-I |
| Formula |
C43H49NO18 |
| Mw |
867.29496377 |
| CAS RN |
210166-82-8 |
| C_ID |
C00027887
, 
|
| InChIKey |
KEGLSEMSUHHFTM-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(56-23(4)46)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(60-38(51)27-14-11-10-12-15-27)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20-,21-,29+,31+,32-,33+,34-,35+,36+,40-,41+,42-,43-/m1/s1 |
| SMILES |
CC(=O)OCC12C(OC(C)=O)C(OC(=O)c3ccccc3)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp IPP L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Maytenus aquifolium | Ref. |
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