input word = C00017731

Metabolite InformationStructural formula
Name (-)-Asperlicin
Asperlicin
Formula C31H29N5O4
Mw 535.22195445
CAS RN 93413-04-8
C_ID C00017731 ,
InChIKey MGMRIOLWEROPJY-ZJSZPJBLNA-N
InChICode InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1
SMILES c1ccc2c(c1)c(=O)n1c(n2)[C@@H](NC(=O)c2c1cccc2)C[C@]1(O)c2c(N3[C@@H]1N[C@H](C3=O)CC(C)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus alliaceus Ref.
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