input word = C00057545

Metabolite InformationStructural formula
Name 3-Oxo-10(14),11(13)-guaiadien-12,6-olide
Formula C15H18O3
Mw 246.12559444
CAS RN 77355-79-4
C_ID C00057545
InChIKey PVRPBMBRMSXIHM-BDWDCIJZSA-N
InChICode InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h9-11,13-14H,1-2,4-6H2,3H3/t9-,10+,11+,13+,14+/m1/s1
SMILES O=C1C([C@]2([H])CCC([C@@]3([H])[C@@]([C@H](C)C(C3)=O)([H])[C@@]2([H])O1)=C)=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSaussurea lappa Ref.
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OrganismSaussurea lappa
ReferenceGonzalez, A.G. et al., An. Quim., 1972, 68, 333

1973, 69, 563 (Dihydroestafiatone, synth)