input word = C00029211

Metabolite InformationStructural formula
Name Verrucine B
Formula C21H20N4O3
Mw 376.15354053
CAS RN 252032-23-8
C_ID C00029211 ,
InChIKey WLUVMRPCQHOBCZ-RXQGYGPJNA-N
InChICode InChI=1S/C21H20N4O3/c22-19(27)11-10-17-18(26)12-16(23-13-6-2-1-3-7-13)20-24-15-9-5-4-8-14(15)21(28)25(17)20/h1-9,16-17,23H,10-12H2,(H2,22,27)/t16-,17-/m0/s1
SMILES NC(=O)CC[C@H]1C(=O)C[C@H](Nc2ccccc2)c2nc3ccccc3c(=O)n21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Asp
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium verrucosum Ref.
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