input word = C00053535

Metabolite InformationStructural formula
Name Neferine
Formula C38H44N2O6
Mw 624.31993715
CAS RN 2292-16-2
C_ID C00053535
InChIKey MIBATSHDJRIUJK-ZWXJPIIXSA-N
InChICode InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32+/m1/s1
SMILES CN1CCC2=CC(OC)=C(OC3=C(O)C=CC(C[C@H]4C(C=C(OC)C(OC)=C5)=C5CCN4C)=C3)C=C2[C@H]1CC6=CC=C(OC)C=C6
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNelumbonaceaeNelumbo nucifera Ref.
--Plumula nelumbinis Ref.
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