input word = C00052024

Metabolite InformationStructural formula
Name Roquefortine N
Formula C22H23N5O4
Mw 421.17500426
CAS RN
C_ID C00052024
InChIKey
InChICode InChI=1S/C22H25N5O5/c1-4-21(2,3)22(14-7-5-6-8-17(14)27(32)20(22)31)10-15(23)18(28)26-16(19(29)30)9-13-11-24-12-25-13/h4-9,11-12,15,32H,1,10,23H2,2-3H3,(H,24,25)(H,26,28)(H,29,30)/b16-9+
SMILES C=CC(C)(C)C1(CC(N)C(=O)N/C(=C/c2c[nH]cn2)C(=O)O)C(=O)N(O)c2ccccc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium chrysogenum DS54555 Ref.
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