input word = C00043100

Metabolite InformationStructural formula
Name Vaccinine B
(-)-Vaccinine B
Formula C14H20N2O3
Mw 264.14739252
CAS RN 864962-37-8
C_ID C00043100 ,
InChIKey MXXYWADKIZHYBS-JLNDLFHKNA-N
InChICode InChI=1S/C14H20N2O3/c1-15-7-3-4-10(15)14(18)19-12-6-5-9-8-11(17)13(12)16(9)2/h3-4,7,9,11-13,17H,5-6,8H2,1-2H3/t9-,11-,12-,13-/m1/s1
SMILES CN1[C@@H]2CC[C@@H](OC(=O)c3cccn3C)[C@H]1[C@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum vacciniifolium Ref.
zoom in