input word = C00011444

Metabolite InformationStructural formula
Name Deisopropylngaione
Formula C12H16O3
Mw 208.10994438
CAS RN 39878-04-1
C_ID C00011444 ,
InChIKey YKWSUSNJLLZKDK-XXCBQWOANA-N
InChICode InChI=1S/C12H16O3/c1-9(13)7-12(2)5-3-11(15-12)10-4-6-14-8-10/h4,6,8,11H,3,5,7H2,1-2H3/t11-,12-/m1/s1
SMILES C1C[C@@H](O[C@@]1(C)CC(=O)C)c1cocc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyoporaceaeMyoporum deserti Ref.
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