input word = C00031831

Metabolite InformationStructural formula
Name Grasshopper ketone
(-)-Grasshopper ketone
Formula C13H20O3
Mw 224.1412445
CAS RN 41703-38-2
C_ID C00031831 ,
InChIKey QMXLZUOHZGYGDY-SNZJEJQANA-N
InChICode InChI=1S/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3/t6-,10-,13+/m0/s1
SMILES C1[C@@H](C[C@@](C(=C=CC(=O)C)C1(C)C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGesneriaceaeAeschynanthus bracteatus Ref.
PlantaeRutaceaePhellodendron japonicum MAXIM Ref.
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