input word = C00023580

Metabolite InformationStructural formula
Name Paspalicine
Formula C27H31NO3
Mw 417.23039386
CAS RN 11024-55-8
C_ID C00023580 ,
InChIKey HSFKQYJRJBEWKH-RQSANQJKNA-N
InChICode InChI=1S/C27H31NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,14-15,18,23,28H,9-13H2,1-4H3/t15-,18-,23-,25-,26+,27-/m0/s1
SMILES c1ccc2c(c1)[nH]c1c2C[C@H]2[C@]1([C@@]1([C@@H](CC2)C2=CC(=O)[C@@H]3O[C@@]2(CC1)OC3(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps paspali Ref.
FungiTrichocomaceaeAspergillus flavus Ref.
FungiTrichocomaceaePenicillium janthinellum Ref.
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