input word = C00025404

Metabolite InformationStructural formula
Name (+)-19-Hydroxy-20-epi-pandoline
Formula C21H26N2O4
Mw 370.18925733
CAS RN 77643-94-8
C_ID C00025404 ,
InChIKey ARSGKOKKPAAGDF-UHFFFAOYNA-N
InChICode InChI=1S/C21H26N2O4/c1-12(24)20(26)10-13-9-14(19(25)27-2)17-21(7-8-23(11-20)18(13)21)15-5-3-4-6-16(15)22-17/h3-6,12-13,18,22,24,26H,7-11H2,1-2H3/t12-,13-,18+,20+,21+/m0/s1
SMILES COC(=O)C1=C2Nc3ccccc3C23CCN2CC(O)(C(C)O)CC(C1)C23
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana albiflora Ref.
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