input word = C00055534

Metabolite InformationStructural formula
Name 2,3-Dihydro-2,4,6-trimethyl-3-oxo-1H-indene-5-acetic acid
Formula C14H16O3
Mw 232.10994438
CAS RN 52528-78-6
C_ID C00055534
InChIKey UYEZJDNVWNIIKS-MRVPVSSYSA-N
InChICode InChI=1S/C14H16O3/c1-7-4-10-5-8(2)14(17)13(10)9(3)11(7)6-12(15)16/h4,8H,5-6H2,1-3H3,(H,15,16)/t8-/m1/s1
SMILES CC1=CC(C[C@H](C2=O)C)=C2C(C)=C1CC(O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDennstaedtiaceaePteridium aquilinum Ref.
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OrganismPteridium aquilinum
ReferenceYoshihira, K. et al., Chem. Pharm. Bull., 1971, 19, 1491

1972, 20, 426

1974, 22, 723

1978, 26, 2346 (isol, uv, ir, pmr)