input word = C00051381

Metabolite InformationStructural formula
Name Lythrancine IV
Formula C33H41NO8
Mw 579.28321729
CAS RN 32209-74-8
C_ID C00051381
InChIKey NEKIHSCHYFCIRU-UHFFFAOYNA-N
InChICode InChI=1S/C33H41NO8/c1-19(35)40-25-12-9-22-10-13-30(38-4)26(15-22)27-16-23(11-14-31(27)39-5)29-18-32(41-20(2)36)33(42-21(3)37)28-8-6-7-24(17-25)34(28)29/h10-11,13-16,24-25,28-29,32-33H,6-9,12,17-18H2,1-5H3
SMILES COc1ccc2cc1-c1cc(ccc1OC)C1CC(OC(C)=O)C(OC(C)=O)C3CCCC(CC(OC(C)=O)CC2)N13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaeLythrum salicaria Ref.
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OrganismLythrum salicaria
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979)