input word = C00011227

Metabolite InformationStructural formula
Name Ergonine
Formula C30H37N5O5
Mw 547.27946933
CAS RN 29537-61-9
C_ID C00011227 ,
InChIKey XWTYUTWHTOOWSS-IAHRWLRHNA-N
InChICode InChI=1S/C30H37N5O5/c1-5-29(28(38)35-25(16(2)3)27(37)34-11-7-10-23(34)30(35,39)40-29)32-26(36)18-12-20-19-8-6-9-21-24(19)17(14-31-21)13-22(20)33(4)15-18/h6,8-9,12,14,16,18,22-23,25,31,39H,5,7,10-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,25+,29-,30+/m1/s1
SMILES c1c2c3c(cc1)C1=C[C@H](CN([C@@H]1Cc3c[nH]2)C)C(=O)N[C@]1(C(=O)N2[C@@](O1)([C@H]1N(C(=O)[C@@H]2C(C)C)CCC1)O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Ala IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps purpurea Ref.
PlantaeAmaryllidaceaeHippeastrum equestre Ref.
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OrganismClaviceps purpurea
ReferenceCole,Handbook of Secondary Fungal Metabolites,Volume I,(2003)

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