input word = C00047738

Metabolite InformationStructural formula
Name Aspergillusol A
Formula C22H24N2O10
Mw 476.143095
CAS RN 1190840-79-9
C_ID C00047738 ,
InChIKey BXRQJOBHKCDAJW-KMMADPOHNA-N
InChICode InChI=1S/C22H24N2O10/c25-15-5-1-13(2-6-15)9-17(23-31)21(29)33-11-19(27)20(28)12-34-22(30)18(24-32)10-14-3-7-16(26)8-4-14/h1-8,19-20,25-28,31-32H,9-12H2/b23-17-,24-18+/t19-,20+/m1/s1
SMILES N(=C(\C(=O)OC[C@@H]([C@@H](COC(=O)/C(=N\O)/Cc1ccc(cc1)O)O)O)/Cc1ccc(cc1)O)/O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus aculeatus Ref.
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