input word = C00011206

Metabolite InformationStructural formula
Name Ergobasinin
Ergobasinine
Ergometrinin
Ergonovinine
Isoergometrine
Formula C19H23N3O2
Mw 325.179027
CAS RN 479-00-5
C_ID C00011206 ,
InChIKey WVVSZNPYNCNODU-UUJMZVBWNA-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-/m1/s1
SMILES c1c2c3c(cc1)C1=C[C@@H](CN([C@@H]1Cc3c[nH]2)C)C(=O)N[C@@H](CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps purpurea Ref.
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OrganismClaviceps purpurea
ReferenceCole,Handbook of Secondary Fungal Metabolites,Volume I,(2003),Indole Alkaloids

Berde,Handbook of Experimental Pharmacology,Springer-Verlag New York,(1978)