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Mrv2104 09152313432D

31 32  0  0  1  0            999 V2000
    6.7876    0.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9294    1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153    0.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -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
    2.3465    0.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5004   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5004    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9297    0.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586   -0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586    0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731   -0.9694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    0.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9294    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9294   -1.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440   -0.6184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3588   -1.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440    0.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3588   -0.2058    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  2  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  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  1  0  0  0  0
 13 17  1  0  0  0  0
 16 22  2  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 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 — 6 of approximately 6 results

PHUB001410 Score: 1.0	Curcumin sulfate metabolite	C₂₁H₂₀O₉S Mono mass: 448.082803398
PHUB001171 Score: 0.781	Ferulic acid-4'-sulfate metabolite	C₁₀H₁₀O₇S Mono mass: 274.014723836
PHUB001212 Score: 0.759	Isoferulic acid-3'-sulfate metabolite	C₁₀H₁₀O₇S Mono mass: 274.014723836
PHUB002712 Score: 0.759	Ferulic acid-3'-sulfate metabolite	C₁₀H₁₀O₇S Mono mass: 274.014723836
PHUB002794 Score: 0.739	dihydrocurcumin sulfate metabolite	C₂₁H₂₂O₉S Mono mass: 450.098453462
PHUB001408 Score: 0.729	Curcumin 458-37-7 precursor metabolite	C₂₁H₂₀O₆ Mono mass: 368.125988364
PHUB001674 Score: 0.729	Demethoxycurcumin precursor	C₂₀H₁₈O₅ Mono mass: 338.11542368