Chemical Structure Search

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Linalool (cis-8-hydroxy-)
  Mrv2104 06072104182D          
  Mrv0541 01101311042D          
 14 13  0  0  0  0            999 V2000
    0.9715   -0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860    0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0360    1.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890    1.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015    2.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0985   -0.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9235   -0.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890    0.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4005    0.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015   -0.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END

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(+)-Catechin
  Mrv1572001071604202D

21 23  0  0  1  0            999 V2000
    2.0414   -2.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -2.2589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6125   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -3.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848    0.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -1.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 14 20  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 10 11  1  0  0  0  0
  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
M  END

Results 1 — 8 of approximately 8 results

PHUB000054 Score: 1.0	Linalool (cis-8-hydroxy-) precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000055 Score: 1.0	Linalool (trans-8-hydroxy-) precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000052 Score: 0.902	Linalool precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001005 Score: 0.787	Myrcene-3(10)-glycol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001823 Score: 0.774	8-carboxylinalool metabolite	C₁₀H₁₆O₃ Mono mass: 184.109944375
PHUB001821 Score: 0.767	dihydrolinalool metabolite	C₁₀H₂₀O Mono mass: 156.151415264
PHUB000072 Score: 0.733	Ocimenol-cis precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000073 Score: 0.733	Ocimenol-trans precursor	C₁₀H₁₈O Mono mass: 154.1357652