input word = C00011285

Metabolite InformationStructural formula
Name Neoechinulin B
Neoechinuline B
Formula C19H19N3O2
Mw 321.14772687
CAS RN 55179-53-8
C_ID C00011285 ,
InChIKey GVVVEKSVCAGUTP-GDNBJRDFSA-N
InChICode InChI=1S/C19H19N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-10,21H,1-2H2,3-4H3,(H,20,24)(H,22,23)/b15-10-
SMILES C=CC(C)(C)c1[nH]c2ccccc2c1/C=c1[nH]c(=O)c(=C)[nH]c1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus variecolor Ref.
FungiTrichocomaceaeEurotium amstelodami Ref.
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