input word = C00053070

Metabolite InformationStructural formula
Name Epipachysamine E
Formula C28H48N2O
Mw 428.37666417
CAS RN 3697-79-8
C_ID C00053070
InChIKey MGEUOPIPYIANSI-BXTKZHJHSA-N
InChICode InChI=1S/C28H48N2O/c1-18(2)16-26(31)29-21-12-14-27(4)20(17-21)8-9-22-24-11-10-23(19(3)30(6)7)28(24,5)15-13-25(22)27/h16,19-25H,8-15,17H2,1-7H3,(H,29,31)/t19-,20-,21-,22-,23+,24-,25-,27-,28+/m0/s1
SMILES CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuxaceaePachysandra terminalis Ref.
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OrganismPachysandra terminalis
ReferenceZhai, H-Y. et al., J. Nat. Prod., 75, (2012), 1305-1311.