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3,7-dimethyloct-1-en-3,6,7-triol
  Mrv2104 06072104182D          
  Mrv0541 01231310582D          
 13 12  0  0  0  0            999 V2000
   -2.3277    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3277    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3277   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8987   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132    2.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8987    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8987    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132    3.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869   -0.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8163    0.5525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8987    2.7696    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  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 — 5 of approximately 5 results

PHUB000022 Score: 1.0	3,7-dimethyloct-1-en-3,6,7-triol precursor	C₁₀H₂₀O₃ Mono mass: 188.141244504
PHUB000024 Score: 0.833	3,7-dimethylocta-1,7-dien-3,6-diol precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000025 Score: 0.821	3,7-dimethylocta-1-en-3,7-diol metabolite	C₁₀H₂₀O₂ Mono mass: 172.146329884
PHUB000053 Score: 0.821	Linalool (8-hydroxydihydro-) precursor	C₁₀H₂₀O₂ Mono mass: 172.146329884
PHUB000990 Score: 0.723	Limonene-1,2-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001847 Score: 0.723	Limonene-1,2-glycol	C₁₀H₁₈O₂ Mono mass: 170.13067982