input word = C00044883

Metabolite InformationStructural formula
Name Lilacinone
Formula C22H15N3O11
Mw 497.07065835
CAS RN 630395-92-5
C_ID C00044883 ,
InChIKey SEQIJIABQXXVGA-UHFFFAOYNA-N
InChICode InChI=1S/C22H15N3O11/c1-35-10-5-22(18(29)13(16(10)24)20(32)33)14-8(26)3-2-6(11(14)21(34)36-22)25-7-4-9(27)15(23)12(17(7)28)19(30)31/h2-5,25-26H,23-24H2,1H3,(H,30,31)(H,32,33)/t22-/m0/s1
SMILES COC1=CC2(OC(=O)c3c(NC4=CC(=O)C(N)=C(C(=O)O)C4=O)ccc(O)c32)C(=O)C(C(=O)O)=C1N
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
FungiRussulaceaeLactarius lilacinus Ref.
zoom in