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Mrv2104 06072104222D

40 41  0  0  0  0            999 V2000
    4.2478   -9.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5333  -10.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8189   -9.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8189   -9.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5333   -8.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2478   -9.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603  -10.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0728   -9.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5333   -7.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623   -8.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623   -7.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6767   -7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3912   -7.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6767   -6.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1057   -7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201   -7.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5346   -7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2491   -7.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9635   -7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6780   -7.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6780   -8.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3925   -9.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1070   -8.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3925   -9.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8214   -9.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5359   -8.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2504   -9.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9648   -8.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6793   -9.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3938   -8.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2504   -9.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3938   -7.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1082   -9.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8227   -8.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9813   -7.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8228   -7.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1082   -7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5688   -7.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1082   -9.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 28  1  0  0  0  0
 33 31  1  0  0  0  0
 34 31  2  0  0  0  0
 35 34  1  0  0  0  0
 36 33  1  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
 38 33  1  0  0  0  0
 39 33  1  0  0  0  0
 40 34  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 — 24 of approximately 24 results

PHUB000350 Score: 1.0	Carotene-beta 7235-40-7 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000351 Score: 0.957	Carotene-gamma 472-93-5 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000349 Score: 0.882	Carotene-alpha 432-70-2 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB001886 Score: 0.865	Retinal 116-31-4 metabolite	C₂₀H₂₈O Mono mass: 284.214015522
PHUB000464 Score: 0.849	carotenal (beta-apo-8') precursor	C₃₀H₄₀O Mono mass: 416.307915908
PHUB000467 Score: 0.849	Carotene-delta precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB001881 Score: 0.849	all-trans-retinol 11103-57-4 metabolite	C₂₀H₃₀O Mono mass: 286.229665586
PHUB000151 Score: 0.837	Trans-Muurola-4(14),5-diene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000147 Score: 0.813	Sesquiphellandrene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000154 Score: 0.76	Zingiberene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000078 Score: 0.75	Phellandrene-beta precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000088 Score: 0.729	Terpinene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000113 Score: 0.729	Copaene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000152 Score: 0.729	Valencene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000153 Score: 0.729	Ylangene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000079 Score: 0.723	Pinene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB001457 Score: 0.717	beta-Ionone 79-77-6 precursor	C₁₃H₂₀O Mono mass: 192.151415264
PHUB000122 Score: 0.712	Germacrene B precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000352 Score: 0.702	Carotene-zeta 72746-33-9 precursor	C₄₀H₆₀ Mono mass: 540.469501932
PHUB000458 Score: 0.702	Phytofluene precursor	C₄₀H₆₂ Mono mass: 542.485151996
PHUB000459 Score: 0.702	Neurosporene precursor	C₄₀H₅₈ Mono mass: 538.453851868
PHUB000077 Score: 0.7	Phellandrene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000107 Score: 0.7	Cadinene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000139 Score: 0.7	Muurolene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773