input word = C00026435

Metabolite InformationStructural formula
Name Haplatine acetate
Formula C20H21NO6
Mw 371.13688741
CAS RN 58480-58-3
C_ID C00026435 ,
InChIKey DMUYUTJUTCOSQS-QPEQYQDCSA-N
InChICode InChI=1S/C20H21NO6/c1-12(22)11-27-13(2)7-9-25-16-6-5-14-17(19(16)24-4)21-20-15(8-10-26-20)18(14)23-3/h5-8,10H,9,11H2,1-4H3/b13-7-
SMILES COc1c2ccoc2nc2c(OC)c(OC/C=C(/C)OCC(C)=O)ccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum obtusifolium Ref.
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