input word = C00000221

Metabolite InformationStructural formula
Name Tuberonic acid
Formula C12H18O4
Mw 226.12050906
CAS RN 124649-26-9
C_ID C00000221 ,
InChIKey RZGFUGXQKMEMOO-OKJCGHETNA-N
InChICode InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10+/m1/s1
SMILES C1C[C@@H]([C@@H](C1=O)C/C=C\CCO)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum tuberosum Ref.
--Salanum tuberosum Ref.
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