input word = C00024609

Metabolite InformationStructural formula
Name Vallesine
N-Deacetyl-N-formylaspidospermine
Formula C21H28N2O2
Mw 340.21507815
CAS RN 466-46-6
C_ID C00024609 ,
InChIKey KYRQTZSLJBESSD-MORVALAVNA-N
InChICode InChI=1S/C21H28N2O2/c1-3-20-9-5-12-22-13-11-21(19(20)22)15-6-4-7-16(25-2)18(15)23(14-24)17(21)8-10-20/h4,6-7,14,17,19H,3,5,8-13H2,1-2H3/t17-,19-,20-,21-/m1/s1
SMILES c1c(c2c(cc1)[C@]13[C@H](N2C=O)CC[C@@]2([C@H]1N(CCC2)CC3)CC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeStrempeliopsis strempelioides Ref.
PlantaeApocynaceaeVallesia dichotoma Ruiz.et Pav. Ref.
PlantaeApocynaceaeVallesia glabra Ref.
zoom in