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Mrv2104 06072104222D

24 23  0  0  0  0            999 V2000
   11.6916   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4060   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9772   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1204   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4060  -10.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2628   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1204   -8.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8348   -9.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8339   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483  -10.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1195   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4051   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6907   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9763   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9763   -8.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5475   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -8.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042  -10.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6898   -9.1264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  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

PHUB000353 Score: 1.0	Crocetin 27876-94-4 precursor metabolite	C₂₀H₂₄O₄ Mono mass: 328.167459253
PHUB000466 Score: 0.841	Norbixin 542-40-5 precursor metabolite	C₂₄H₂₈O₄ Mono mass: 380.198759382
PHUB000465 Score: 0.712	Bixin 6983-79-5 precursor	C₂₅H₃₀O₄ Mono mass: 394.214409446