input word = C00043300

Metabolite InformationStructural formula
Name Aspernigrin B
Formula C27H24N2O5
Mw 456.16852189
CAS RN 773855-63-3
C_ID C00043300 ,
InChIKey CPVCVIXCXKPURM-QWVACARCNA-N
InChICode InChI=1S/C27H24N2O5/c1-33-21-15-25(34-26(31)16-21)23(13-19-10-6-3-7-11-19)29-17-22(27(28)32)24(30)14-20(29)12-18-8-4-2-5-9-18/h2-11,14-17,23H,12-13H2,1H3,(H2,28,32)/t23-/m0/s1
SMILES c1c(=O)c(cn(c1Cc1ccccc1)[C@@H](Cc1ccccc1)c1oc(=O)cc(c1)OC)C(=O)N
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Phe
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niger Ref.
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