input word = C00055535

Metabolite InformationStructural formula
Name 6-(2-Chloroethyl)-2,3-dihydro-2,5,7-trimethyl-1H-inden-1-one
Formula C14H17ClO
Mw 236.09679287
CAS RN 34175-98-9
C_ID C00055535
InChIKey DFJCTWMNTSWCRI-SECBINFHSA-N
InChICode InChI=1S/C14H17ClO/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9H,4-5,7H2,1-3H3/t9-/m1/s1
SMILES CC1=CC(C[C@H](C2=O)C)=C2C(C)=C1CCCl
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)