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Mrv2104 06072104232D

29 28  0  0  0  0            999 V2000
   -7.4471    3.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7327    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0182    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3037    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5893    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8748    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1603    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7314    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0169    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3024    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4120    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1265    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8410    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5555    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2699    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9844    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7327    1.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5893    3.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7314    3.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8410    1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6989    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4133    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6989    1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4133    1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4133    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278    0.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6989    0.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278   -0.7071    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  0  0  0  0
  9 20  1  0  0  0  0
 14 21  1  0  0  0  0
 17 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  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 — 3 of approximately 3 results

PHUB000465 Score: 1.0	Bixin 6983-79-5 precursor	C₂₅H₃₀O₄ Mono mass: 394.214409446
PHUB000466 Score: 0.837	Norbixin 542-40-5 precursor metabolite	C₂₄H₂₈O₄ Mono mass: 380.198759382
PHUB000353 Score: 0.712	Crocetin 27876-94-4 precursor metabolite	C₂₀H₂₄O₄ Mono mass: 328.167459253