input word = C00001187

Metabolite InformationStructural formula
Name 3-Hydroxy-3-methylglutaric acid
Formula C6H10O5
Mw 162.05282343
CAS RN 503-49-1
C_ID C00001187 ,
InChIKey NPOAOTPXWNWTSH-UHFFFAOYSA-N
InChICode InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
SMILES C(C(CC(=O)O)(C)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCrotalaria dura Ref.
PlantaeFabaceaeCrotalaria globifera Ref.
PlantaePoaceaeTriticum aestivum Ref.
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OrganismCrotalaria dura
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter5