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Mrv2104 03172310302D

27 28  0  0  0  0            999 V2000
   -4.6428    1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3573    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3573   -0.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6428   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9283   -0.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9283    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4994    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7849    1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7849    2.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560    1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560    2.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3584    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0729    1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7873   -0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019   -0.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2164    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5018    1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9309    1.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6454    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9308   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0718    1.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0718   -0.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7862    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 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
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
  3 26  1  0  0  0  0
  2 25  1  0  0  0  0
 25 27  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  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 — 2 of approximately 2 results

PHUB002791 Score: 1.0		dihydrocurcumin metabolite	C₂₂H₂₄O₅ Mono mass: 368.162373873
PHUB002794 Score: 0.748		dihydrocurcumin sulfate metabolite	C₂₁H₂₂O₉S Mono mass: 450.098453462