input word = C00054766

Metabolite InformationStructural formula
Name Dhelwangin
Formula C12H16O4
Mw 224.104859
CAS RN 23800-56-8
C_ID C00054766
InChIKey AJFJTORMMHWKFW-UHFFFAOYSA-N
InChICode InChI=1S/C12H16O4/c1-7(2)4-5-9(13)11-10(14)6-8(3)16-12(11)15/h6-7,14H,4-5H2,1-3H3
SMILES CC(CCC(C(C1=O)=C(O)C=C(O1)C)=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePogostemon cablin Ref.
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OrganismPogostemon cablin
ReferenceKlein, E. et al., Tet. Lett., 1969, 10, 2279-2280 (synth)