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Mrv2104 03172310502D

31 32  0  0  1  0            999 V2000
    6.0736    0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010    0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153   -0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6322    0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9299   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9299    0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2155    0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6444   -0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6444    0.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9297   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590   -1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3589    0.4740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3588   -0.8249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0736   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3588    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0736   -0.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  2  0  0  0  0
  4 15  1  0  0  0  0
  5  9  2  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  2  0  0  0  0
 11 14  2  0  0  0  0
 11 20  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 20  2  0  0  0  0
 18 24  1  0  0  0  0
 19 21  1  0  0  0  0
 19 27  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  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 — 4 of approximately 4 results

PHUB002794 Score: 1.0	dihydrocurcumin sulfate metabolite	C₂₁H₂₂O₉S Mono mass: 450.098453462
PHUB002795 Score: 0.784	tetrahydrocurcumin sulfate metabolite	C₂₁H₂₄O₉S Mono mass: 452.114103527
PHUB002791 Score: 0.748	dihydrocurcumin metabolite	C₂₂H₂₄O₅ Mono mass: 368.162373873
PHUB001410 Score: 0.739	Curcumin sulfate metabolite	C₂₁H₂₀O₉S Mono mass: 448.082803398