input word = C00020839

Metabolite InformationStructural formula
Name Dihydroestafiatone
Formula C15H20O3
Mw 248.1412445
CAS RN 38142-65-3
C_ID C00020839 ,
InChIKey QEFUTRKIARMBLC-VMGICTQONA-N
InChICode InChI=1S/C15H20O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h8-11,13-14H,1,4-6H2,2-3H3/t8-,9+,10-,11-,13-,14-/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H](CCC1=C)[C@@H](C(=O)O3)C)[C@@H](C(=O)C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea webbiana Ref.
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