input word = C00017935

Metabolite InformationStructural formula
Name Asperlicin E
Formula C25H18N4O3
Mw 422.13789047
CAS RN 93413-05-9
C_ID C00017935 ,
InChIKey HYHLSEUXMRFVND-FYMYQYQHNA-N
InChICode InChI=1S/C25H18N4O3/c30-22-14-7-1-4-10-17(14)26-21-20-13-25(32)16-9-3-5-11-18(16)27-24(25)29(20)23(31)15-8-2-6-12-19(15)28(21)22/h1-12,20,24,27,32H,13H2/t20-,24-,25+/m1/s1
SMILES c1ccc2c(c1)[C@@]1([C@H](N2)N2[C@H](C1)c1n(c(=O)c3c(n1)cccc3)c1c(C2=O)cccc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus alliaceus ATCC 20655 Ref.
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