input word = C00052021

Metabolite InformationStructural formula
Name Roquefortine F
Formula C23H25N5O3
Mw 419.1957397
CAS RN
C_ID C00052021
InChIKey
InChICode InChI=1S/C23H25N5O3/c1-5-22(2,3)23-11-18-19(29)26-16(10-14-12-24-13-25-14)20(30)27(18)21(23)28(31-4)17-9-7-6-8-15(17)23/h5-10,12-13,18,21H,1,11H2,2-4H3,(H,24,25)(H,26,29)/b16-10+
SMILES c12c(cccc1)C1(C(N2OC)N2C(C1)C(=O)N/C(=C/c1nc[nH]c1)/C2=O)C(C)(C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium chrysogenum DS54555 Ref.
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