input word = C00023587

Metabolite InformationStructural formula
Name Paspalitrem A
3-Methyl-2-butenylpaspalinine
Formula C32H39NO4
Mw 501.28790874
CAS RN 63722-90-7
C_ID C00023587 ,
InChIKey WCISYVSWAOUFIY-HJSHOVQRNA-N
InChICode InChI=1S/C32H39NO4/c1-18(2)7-8-19-9-10-23-21(15-19)22-16-20-11-12-31(35)25-17-24(34)27-28(3,4)37-32(25,36-27)14-13-29(31,5)30(20,6)26(22)33-23/h7,9-10,15,17,20,27,33,35H,8,11-14,16H2,1-6H3/t20-,27-,29+,30+,31+,32-/m0/s1
SMILES c1c(cc2c(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)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps paspali sclerotia Ref.
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