input word = C00025979

Metabolite InformationStructural formula
Name O-Acetylvallesamine
Vallesamine acetate
Formula C22H26N2O4
Mw 382.18925733
CAS RN 56293-11-9
C_ID C00025979 ,
InChIKey FFOLRDAPZBOCPV-SYZQJQIINA-N
InChICode InChI=1S/C22H26N2O4/c1-4-15-11-24-10-9-18(15)22(21(26)27-3,13-28-14(2)25)20-17(12-24)16-7-5-6-8-19(16)23-20/h4-8,18,23H,9-13H2,1-3H3/b15-4+/t18-,22+/m0/s1
SMILES C\1(=C/C)/CN2Cc3c([C@]([C@H]1CC2)(COC(=O)C)C(=O)OC)[nH]c1c3cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana dichotoma Roxb.ex Wall Ref.
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OrganismTabernaemontana dichotoma Roxb.ex Wall
ReferencePerera,Planta Med.,50,(1984),251