input word = C00052023

Metabolite InformationStructural formula
Name Roquefortine M
Formula C22H21N5O4
Mw 419.1593542
CAS RN
C_ID C00052023
InChIKey
InChICode InChI=1S/C22H23N5O4/c1-4-21(2,3)22(14-7-5-6-8-17(14)27(31)20(22)30)10-16-19(29)25-15(18(28)26-16)9-13-11-23-12-24-13/h4-9,11-12,16,31H,1,10H2,2-3H3,(H,23,24)(H,25,29)(H,26,28)/b15-9+
SMILES C=CC(C)(C)C1(CC2NC(=O)/C(=Cc3c[nH]cn3)NC2=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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