input word = C00040673

Metabolite InformationStructural formula
Name Xanthocillin X
Formula C18H12N2O2
Mw 288.08987764
CAS RN 580-74-5
C_ID C00040673 ,
InChIKey YBMVKDUTYAGKEW-WHYMJUELSA-N
InChICode InChI=1S/C18H12N2O2/c1-19-17(11-13-3-7-15(21)8-4-13)18(20-2)12-14-5-9-16(22)10-6-14/h3-12,21-22H/b17-11-,18-12-
SMILES [C-]#[N+]C(=Cc1ccc(O)cc1)/C(=C/c1ccc(O)cc1)[N+]#[C-]
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium notatum Ref.
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