input word = C00043099

Metabolite InformationStructural formula
Name Vaccinine A
(+)-Vaccinine A
Formula C14H20N2O3
Mw 264.14739252
CAS RN 864962-36-7
C_ID C00043099 ,
InChIKey NYJACYIWJBOONP-FADUANGINA-N
InChICode InChI=1S/C14H20N2O3/c1-15-7-3-4-11(15)14(18)19-13-10-6-5-9(16(10)2)8-12(13)17/h3-4,7,9-10,12-13,17H,5-6,8H2,1-2H3/t9-,10+,12-,13-/m1/s1
SMILES [C@H]12CC[C@H](C[C@H]([C@@H]1OC(=O)c1n(ccc1)C)O)N2C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum vacciniifolium Ref.
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