input word = C00042247

Metabolite InformationStructural formula
Name Aspernigrin A
Formula C13H12N2O2
Mw 228.08987764
CAS RN 773855-60-0
C_ID C00042247 ,
InChIKey RUUZDCZRFRLJFC-UHFFFAOYSA-N
InChICode InChI=1S/C13H12N2O2/c14-13(17)11-8-15-10(7-12(11)16)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,17)(H,15,16)
SMILES c1(c(=O)cc([nH]c1)Cc1ccccc1)C(=O)N
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
FungiDavidiellaceaeCladosporium herbarum IFB-E002 Ref.
FungiTrichocomaceaeAspergillus niger Ref.
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