input word = C00062974

Metabolite InformationStructural formula
Name 3,3,4-Trimethyl-4-(3-oxobutyl)-7-oxabicyclo[4.1.0]heptane-2,5-dione
Formula C13H18O4
Mw 238.12050906
CAS RN 778628-00-5
C_ID C00062974
InChIKey WICCRSLJPMTZJK-UHFFFAOYSA-N
InChICode InChI=1S/C13H18O4/c1-7(14)5-6-13(4)11(16)9-8(17-9)10(15)12(13,2)3/h8-9H,5-6H2,1-4H3
SMILES CC(=O)CCC1(C)C(=O)C2OC2C(=O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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OrganismNicotiana tabacum
Referencehttps://doi.org/10.1016/j.chroma.2004.03.057