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Mrv2104 06072104332D

13 12  0  0  0  0            999 V2000
    1.9422   -2.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2813   -2.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668   -2.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2813   -1.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668   -0.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668   -0.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2813    0.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    1.1533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0603   -0.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7805   -2.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9498   -3.2759    0.0000 O   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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  2  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 — 5 of approximately 5 results

PHUB001823 Score: 1.0	8-carboxylinalool metabolite	C₁₀H₁₆O₃ Mono mass: 184.109944375
PHUB000054 Score: 0.774	Linalool (cis-8-hydroxy-) precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000055 Score: 0.774	Linalool (trans-8-hydroxy-) precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001808 Score: 0.735	3-hydroxy-3,7-dimethyl-6-octenedioic acid metabolite	C₁₀H₁₆O₅ Mono mass: 216.099773615
PHUB000934 Score: 0.714	3,7-Dimethyl-6-octaen-1,8-dioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB001809 Score: 0.714	3,7-dimethyl-6-octenedioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB001812 Score: 0.714	(6E)-3,7-dimethyl-6-octene-1,8-dioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995