input word = C00028944

Metabolite InformationStructural formula
Name Roquefortine D
Formula C22H25N5O2
Mw 391.20082508
CAS RN 58735-66-3
C_ID C00028944 ,
InChIKey IQVNREJWRXOHEO-HTRLFKBUNA-N
InChICode InChI=1S/C22H25N5O2/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/h4-8,11-12,16-17,20,26H,1,9-10H2,2-3H3,(H,23,24)(H,25,28)/t16-,17-,20-,22+/m0/s1
SMILES c12c(N[C@@H]3[C@]1(C[C@@H]1N3C(=O)[C@@H](NC1=O)Cc1[nH]cnc1)C(C=C)(C)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium chrysogenum DS54555 Ref.
FungiTrichocomaceaePenicillium rogueforti Ref.
FungiTrichocomaceaePenicillium roqueforti Ref.
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OrganismPenicillium chrysogenum DS54555
ReferenceM.Ries et al.,J.Biol.Chem.,288,(2013),37289-37295