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Mrv2104 06072104232D

40 40  0  0  0  0            999 V2000
   -7.1431   -0.0528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4286    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8575   -1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7141   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5719   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2852   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996    1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5707    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8562   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418    1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4306   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2898    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5753   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1431   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4286   -1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7187    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2700    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8575    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4450    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  1 39  1  0  0  0  0
  1  2  1  1  0  0  0
 31  3  2  0  0  0  0
 39  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 34  2  0  0  0  0
 34 28  1  0  0  0  0
 36 29  2  0  0  0  0
 28 30  1  0  0  0  0
  4  6  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 34 33  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39 40  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 — 14 of approximately 14 results

PHUB000467 Score: 1.0	Carotene-delta precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000349 Score: 0.962	Carotene-alpha 432-70-2 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000351 Score: 0.887	Carotene-gamma 472-93-5 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000350 Score: 0.849	Carotene-beta 7235-40-7 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000151 Score: 0.782	Trans-Muurola-4(14),5-diene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000154 Score: 0.778	Zingiberene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB001881 Score: 0.767	all-trans-retinol 11103-57-4 metabolite	C₂₀H₃₀O Mono mass: 286.229665586
PHUB000147 Score: 0.759	Sesquiphellandrene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000106 Score: 0.75	Cadinene-delta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB001886 Score: 0.75	Retinal 116-31-4 metabolite	C₂₀H₂₈O Mono mass: 284.214015522
PHUB000464 Score: 0.738	carotenal (beta-apo-8') precursor	C₃₀H₄₀O Mono mass: 416.307915908
PHUB000122 Score: 0.732	Germacrene B precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000077 Score: 0.722	Phellandrene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000078 Score: 0.704	Phellandrene-beta precursor	C₁₀H₁₆ Mono mass: 136.125200515