input word = C00011207

Metabolite InformationStructural formula
Name 6,7-seco-Agroclavine
Formula C16H20N2
Mw 240.16264865
CAS RN 68156-97-8
C_ID C00011207 ,
InChIKey NGJMPUDCQIYVMS-DDOUFSBJNA-N
InChICode InChI=1S/C16H20N2/c1-10(2)7-13-12-5-4-6-14-16(12)11(9-18-14)8-15(13)17-3/h4-7,9,13,15,17-18H,8H2,1-3H3/t13-,15-/m1/s1
SMILES CN[C@@H]1Cc2c[nH]c3cccc(c23)[C@H]1C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeBalansia epichloe Ref.
FungiClavicipitaceaeBalansia strangulans Ref.
FungiClavicipitaceaeClaviceps purpurea Ref.
FungiClavicipitaceaeEpichloe typhina Ref.
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