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Mrv2104 03172311132D

31 32  0  0  1  0            999 V2000
    6.7871    0.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9294    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463    0.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6437   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6437    0.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713    0.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294    0.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3582   -0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2149   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3582    0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727   -0.9694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0726    0.6803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9294    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8401   -1.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5547   -0.7077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5547    0.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3362   -0.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5547   -1.5328    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  1  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  2  0  0  0  0
  6 15  1  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  1  0  0  0  0
 11 14  2  0  0  0  0
 11 20  1  0  0  0  0
 12 15  2  0  0  0  0
 12 21  1  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  2  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 31  2  0  0  0  0
 28 30  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 — 9 of approximately 9 results

PHUB002795 Score: 1.0	tetrahydrocurcumin sulfate metabolite	C₂₁H₂₄O₉S Mono mass: 452.114103527
PHUB002794 Score: 0.784	dihydrocurcumin sulfate metabolite	C₂₁H₂₂O₉S Mono mass: 450.098453462
PHUB002273 Score: 0.761	Tetrahydrocurcumin metabolite	C₂₁H₂₄O₆ Mono mass: 372.157288493
PHUB001436 Score: 0.755	Dihydroferulic acid-4'-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB002796 Score: 0.748	hexahydrocurcumin sulfate metabolite	C₂₁H₂₆O₉S Mono mass: 454.129753591
PHUB001592 Score: 0.716	Dihydroisoferulic acid-3'-O-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB002768 Score: 0.712	3-Methoxyphenyllactic acid-4-sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852
PHUB000614 Score: 0.711	Gingerdione ([6]-) precursor	C₁₇H₂₄O₄ Mono mass: 292.167459253
PHUB002797 Score: 0.705	Octahydrocurcumin sulfate metabolite	C₂₁H₂₈O₉S Mono mass: 456.145403656