input word = C00001677

Metabolite InformationStructural formula
Name Agroclavin
Agroclavine
Formula C16H18N2
Mw 238.14699859
CAS RN 548-42-5
C_ID C00001677 ,
InChIKey XJOOMMHNYOJWCZ-DDOUFSBJNA-N
InChICode InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1
SMILES c12c3c(ccc1)[C@@H]1[C@@H](Cc3c[nH]2)N(CC(=C1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps paspali Ref.
FungiClavicipitaceaeClaviceps purpurea Ref.
FungiClavicipitaceaeEpichloe festucae Fl1 Ref.
FungiClavicipitaceaeEpichloe inebrians e818 Ref.
FungiTrichocomaceaeAspergillus fumigatus Ref.
PlantaeConvolvulaceaeArgyreia nervosa Ref.
PlantaeConvolvulaceaeCuscuta spp. Ref.
PlantaeConvolvulaceaeIpomoea corymbosa Ref.
PlantaeConvolvulaceaeIpomoea spp. Ref.
PlantaeConvolvulaceaeRivea spp. Ref.
PlantaePoaceaePennisetum typhoideum Ref.
--Agropyrum ciliare Ref.
--Agropyrum semicostatum Ref.
--Bakabsua obtecta B249 Ref.
--Neotyphodium gansuense Ref.
--Periglandula ipomoeae lasaF13 Ref.
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OrganismClaviceps paspali
ReferenceC.A.Young et al.,Toxins,7,(2015),1273-1302