input word = C00001722

Metabolite InformationStructural formula
Name Ergometrine
Ergonovine
Ergobasine
Formula C19H23N3O2
Mw 325.179027
CAS RN 60-79-7
C_ID C00001722 ,
InChIKey WVVSZNPYNCNODU-IGWCJBBGNA-N
InChICode InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1
SMILES [C@H]1(C=C2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1)C(=O)N[C@@H](C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeBalansia claviceps Ref.
FungiClavicipitaceaeBalansia epichloe Ref.
FungiClavicipitaceaeBalansia henningsiana Ref.
FungiClavicipitaceaeClaviceps purpurea Ref.
FungiClavicipitaceaeEpichloe inebrians e818 Ref.
PlantaeConvolvulaceaeIpomoea argyrophylla Ref.
PlantaeConvolvulaceaeIpomoea asarifolia Ref.
PlantaeConvolvulaceaeIpomoea corymbosa Ref.
PlantaeConvolvulaceaeIpomoea violacea Ref.
--Neotyphodium gansuense Ref.
--Periglandula ipomoeae lasaF13 Ref.
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