input word = C00003176

Metabolite InformationStructural formula
Name PR toxin
Formula C17H20O6
Mw 320.12598837
CAS RN 56299-00-4
C_ID C00003176 ,
InChIKey GSPFUBNBRPVALJ-DCWZSFJXNA-N
InChICode InChI=1S/C17H20O6/c1-8-12(21-9(2)19)14-13(22-14)10-5-11(20)17(6-15(8,10)3)16(4,7-18)23-17/h5,7-8,12-14H,6H2,1-4H3/t8-,12+,13-,14+,15+,16+,17-/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]([C@@]3(C(=CC(=O)[C@]4(C3)O[C@]4(C)C=O)[C@@H]1O2)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium roquefortii Ref.
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