input word = C00051010

Metabolite InformationStructural formula
Name Isotorquatone
Formula C16H24O4
Mw 280.16745925
CAS RN 245063-60-9
C_ID C00051010
InChIKey NPBLAHCDLPLESG-UHFFFAOYNA-N
InChICode InChI=1S/C16H24O4/c1-8-9(2)13(17)12-15(19-6)10(3)14(18-5)11(4)16(12)20-7/h9H,8H2,1-7H3/t9-/m1/s1
SMILES CCC(C)C(=O)c1c(OC)c(C)c(OC)c(C)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus apodophylla Ref.
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OrganismEucalyptus apodophylla
ReferenceMenut, et al., Phytochemistry, 51, (1999), 975