input word = C00042351

Metabolite InformationStructural formula
Name Catuabine I
(+)-Catuabine I
Formula C14H20N2O3
Mw 264.14739252
CAS RN 864962-34-5
C_ID C00042351 ,
InChIKey DSROHVBJGNYHNV-XLCCIQQLNA-N
InChICode InChI=1S/C14H20N2O3/c1-15-5-3-4-11(15)14(18)19-10-6-9-7-13(17)12(8-10)16(9)2/h3-5,9-10,12-13,17H,6-8H2,1-2H3/t9-,10-,12+,13-/m1/s1
SMILES [C@H]1(C[C@H]2C[C@H](C[C@@H]1N2C)OC(=O)c1cccn1C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum vacciniifolium Ref.
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