input word = C00046185

Metabolite InformationStructural formula
Name Namonin E
(-)-Namonin E
Formula C51H80O22
Mw 1044.51412424
CAS RN 352661-78-0
C_ID C00046185 ,
InChIKey JNGDBBPABQCYEV-YAVKXCRYNA-N
InChICode InChI=1S/C51H80O22/c1-20(17-64-46-42(62)40(60)38(58)32(16-52)70-46)7-10-30-21(2)35-31(69-30)15-28-26-9-8-24-13-25(54)14-34(51(24,6)27(26)11-12-50(28,35)5)71-49-45(73-48-43(63)39(59)36(56)22(3)67-48)44(33(19-66-49)68-23(4)53)72-47-41(61)37(57)29(55)18-65-47/h8,20,22,25-29,31-49,52,54-63H,7,9-19H2,1-6H3/t20-,22+,25-,26-,27+,28+,29-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+,45-,46-,47+,48+,49+,50+,51+/m1/s1
SMILES CC(=O)O[C@H]1CO[C@@H](O[C@@H]2C[C@H](O)CC3=CC[C@H]4[C@@H]5C[C@@H]6OC(CC[C@@H](C)CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)=C(C)[C@@H]6[C@@]5(C)CC[C@@H]4[C@]32C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDracaenaceaeDracaena angustifolia Ref.
zoom in