input word = C00052022

Metabolite InformationStructural formula
Name Roquefortine L
Formula C22H21N5O3
Mw 403.16443957
CAS RN
C_ID C00052022
InChIKey
InChICode InChI=1S/C22H21N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b15-9+
SMILES c12c(cccc1)C1(C(=[N+]2[O-])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.
FungiTrichocomaceaePenicillium roqueforti Ref.
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