input word = C00036562

Metabolite InformationStructural formula
Name 3-Oxoisocostic acid
Formula C15H20O3
Mw 248.1412445
CAS RN 82400-01-9
C_ID C00036562 ,
InChIKey RDGFGQJFNSCICW-VFYXSWHGNA-N
InChICode InChI=1S/C15H20O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h11H,1,4-8H2,2-3H3,(H,17,18)/t11-,15+/m0/s1
SMILES C1C(=O)C(=C2[C@@](C1)(CC[C@@H](C2)C(=C)C(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina glabrata Ref.
PlantaeAsteraceaeLaggera alata Ref.
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