input word = C00020326

Metabolite InformationStructural formula
Name Purpuride
Formula C22H33NO5
Mw 391.23587317
CAS RN 41411-07-8
C_ID C00020326 ,
InChIKey NEMKJBVVPNFVCU-UHFFFAOYNA-N
InChICode InChI=1S/C22H33NO5/c1-12(2)18(23-13(3)24)20(26)28-17-9-10-21(4,5)16-8-7-14-15(22(16,17)6)11-27-19(14)25/h12,16-18H,7-11H2,1-6H3,(H,23,24)/t16-,17-,18-,22+/m0/s1
SMILES C1CC([C@H]2[C@]([C@H]1OC(=O)[C@H](C(C)C)NC(=O)C)(C1=C(CC2)C(=O)OC1)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium purpurogenum Ref.
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OrganismPenicillium purpurogenum
ReferenceKing,J. Chem. Soc. Perkin Trans. I,(1973),78