input word = C00025192

Metabolite InformationStructural formula
Name N(4)-Demethylechitamine
Nb-Demethylechitamine
Formula C21H26N2O4
Mw 370.18925733
CAS RN 60048-88-6
C_ID C00025192 ,
InChIKey VZZBVNLFHYEUHM-QNWOZXSCNA-N
InChICode InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3+/t15-,17-,19-,20-,21-/m0/s1
SMILES [C@]1(CO)(C(=O)OC)[C@@H]2/C(=C/C)/CN3[C@]4([C@]1(c1ccccc1N4)CC3)[C@H](C2)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia scholaris R.Br. Ref.
PlantaeApocynaceaeWinchia calophylla Ref.
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OrganismWinchia calophylla
ReferenceGan,J.Nat.Prod.,69,(2006),18