input word = C00026522

Metabolite InformationStructural formula
Name Martefragin A
Formula C20H25N3O3
Mw 355.18959169
CAS RN 200809-93-4
C_ID C00026522 ,
InChIKey PBQNIVCBQWLBLF-DETPSLMCNA-N
InChICode InChI=1S/C20H25N3O3/c1-5-12(2)10-16(23(3)4)19-22-17(20(24)25)18(26-19)14-11-21-15-9-7-6-8-13(14)15/h6-9,11-12,16,21H,5,10H2,1-4H3,(H,24,25)/t12-,16-/m0/s1
SMILES CC[C@H](C)C[C@@H](c1nc(C(=O)O)c(-c2c[nH]c3ccccc23)o1)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeMartensia fragilis Ref.
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