input word = C00023581

Metabolite InformationStructural formula
Name Paspalinine
Formula C27H31NO4
Mw 433.22530849
CAS RN 63722-91-8
C_ID C00023581 ,
InChIKey BPTIXFRJAOKMRK-FGUAEUTNNA-N
InChICode InChI=1S/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1
SMILES c1ccc2c(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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps paspali Ref.
FungiTrichocomaceaeAspergillus flavus sclerotia Ref.
FungiTrichocomaceaePenicillium janthinellum Ref.
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OrganismClaviceps paspali
ReferenceCole,Handbook of Toxic Fungal Metabolites,Academic Press, (1981),398-401

Cole,J.Agric.Food Chem.,29,(1981),293-295

Gallagher,Tet.Lett.,21,(1980),235-238