input word = C00023589

Metabolite InformationStructural formula
Name Paspalitrem C
Formula C32H39NO4
Mw 501.28790874
CAS RN 90866-61-8
C_ID C00023589 ,
InChIKey MXOIVWLOTRYIQC-HJSHOVQRNA-N
InChICode InChI=1S/C32H39NO4/c1-18(2)10-11-19-8-7-9-22-25(19)21-16-20-12-13-31(35)24-17-23(34)27-28(3,4)37-32(24,36-27)15-14-29(31,5)30(20,6)26(21)33-22/h7-10,17,20,27,33,35H,11-16H2,1-6H3/t20-,27-,29+,30+,31+,32-/m0/s1
SMILES CC(C)=CCc1cccc2[nH]c3c(c12)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps paspali sclerotia Ref.
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OrganismClaviceps paspali sclerotia
ReferenceBills,Mycol.Res.,96,(1992),977-983

Dorner,J.Agric.and Food Science,32,(1984),1069-1071