input word = C00023585

Metabolite InformationStructural formula
Name Aflatrem
alpha,alpha-Dimethylallylpaspalinine
Formula C32H39NO4
Mw 501.28790874
CAS RN 70553-75-2
C_ID C00023585 ,
InChIKey YVDJBQQJIDPRKP-MNXQIKTCNA-N
InChICode InChI=1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1
SMILES c1cc(c2c(c1)[nH]c1c2C[C@H]2[C@]1([C@@]1([C@@](CC2)(C2=CC(=O)[C@@H]3O[C@@]2(CC1)OC3(C)C)O)C)C)C(C)(C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus flavus Ref.
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