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Mrv2104 09152313312D

12 12  0  0  0  0            999 V2000
   19.2616  -16.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8329  -16.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5603  -12.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2703  -13.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8415  -13.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2673  -14.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8386  -14.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5485  -15.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5572  -13.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5514  -15.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9863  -13.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8443  -12.9614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
  9 12  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 — 17 of approximately 17 results

PHUB000990 Score: 1.0	Limonene-1,2-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001847 Score: 1.0	Limonene-1,2-glycol	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000972 Score: 0.905	Dihydrocarveol metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB002074 Score: 0.8	Akhdardiol precursor	C₂₀H₃₄O₂ Mono mass: 306.255880335
PHUB000960 Score: 0.796	7-Hydroxycamphene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001811 Score: 0.778	isopulegone metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB002076 Score: 0.766	Akhdartriol precursor	C₂₀H₃₄O₃ Mono mass: 322.250794955
PHUB000959 Score: 0.755	6-exo-Hydroxycamphene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB002706 Score: 0.729	Pinocarveol 5947-36-4 precursor	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000012 Score: 0.725	Betulin precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000022 Score: 0.723	3,7-dimethyloct-1-en-3,6,7-triol precursor	C₁₀H₂₀O₃ Mono mass: 188.141244504
PHUB001846 Score: 0.719	Limonene-1,2-epoxide metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001023 Score: 0.714	Perillyl aldehyde metabolite 2 metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB002629 Score: 0.714	p-mentha-8-en-7-ol metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000991 Score: 0.709	Limonene-8,9-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000174 Score: 0.706	lupeol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000024 Score: 0.702	3,7-dimethylocta-1,7-dien-3,6-diol precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000108 Score: 0.702	Cadinol precursor	C₁₅H₂₆O Mono mass: 222.198365457
PHUB000091 Score: 0.7	Terpineol-gamma precursor	C₁₀H₁₈O Mono mass: 154.1357652