input word = C00011251

Metabolite InformationStructural formula
Name Roquefortine
Roquefortine C
Formula C22H23N5O2
Mw 389.18517502
CAS RN 58735-64-1
C_ID C00011251 ,
InChIKey SPWSUFUPTSJWNG-SXGWCWSVNA-N
InChICode InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9-/t17-,20-,22+/m1/s1
SMILES c1c2c(ccc1)[C@@]1([C@H](N2)N2[C@H](C1)C(=O)N/C(=C\c1[nH]cnc1)/C2=O)C(C=C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiGymnoascaceaeGymnoascus reessii Ref.
FungiTrichocomaceaePenicillium chrysogenum Ref.
FungiTrichocomaceaePenicillium commune Ref.
FungiTrichocomaceaePenicillium corymbiferum Ref.
FungiTrichocomaceaePenicillium cyclopium NRRL 6093 Ref.
FungiTrichocomaceaePenicillium expansum Ref.
FungiTrichocomaceaePenicillium farinosum Ref.
FungiTrichocomaceaePenicillium oxalicum Ref.
FungiTrichocomaceaePenicillium roqueforti Ref.
FungiTrichocomaceaePenicillium roquefortii Ref.
FungiTrichocomaceaePenicillium spp. Ref.
FungiTrichocomaceaePenicillium urticae Ref.
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OrganismPenicillium roquefortii
ReferenceCole,Handbook of Secondary Fungal Metabolites,Volume I,(2003)

Cole,Handbook of Toxic Fungal Metabolites,(1981),537