input word = C00000234

Metabolite InformationStructural formula
Name 6-epi-7-Iso-cucurbic acid
Formula C12H20O3
Mw 212.1412445
CAS RN
C_ID C00000234 ,
InChIKey LYSGIJUGUGJIPS-UHFPVXNDNA-N
InChICode InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-,11-/m1/s1
SMILES C1C[C@@H]([C@H]([C@@H]1O)C/C=C\CC)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEquisetaceaeEquisetum arvense Ref.
PlantaePoaceaeSecale cereale Ref.
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