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Mrv2104 06072104342D

25 26  0  0  0  0            999 V2000
    1.3701   -0.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9832   -0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8123   -0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4139    0.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854   -0.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8116    0.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.9993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8555    1.5092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4254   -1.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538   -2.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2100   -1.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5539    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8533    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8298    2.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8191    2.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2977    2.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864    2.4319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3038    3.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5557    2.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9466    2.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1958    1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7529    2.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  6  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  4 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  2  0  0  0  0
 10 14  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 — 30 of approximately 100 results

PHUB001916 Score: 1.0	caffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₆O₁₀ Mono mass: 356.074346715
PHUB001432 Score: 0.994	Isoferulic acid-3'-O-glucuronide metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB002709 Score: 0.994	Ferulic acid-3-glucuronide metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB001170 Score: 0.983	Ferulic acid-4'-O-glucuronide metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB001917 Score: 0.983	caffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₆O₁₀ Mono mass: 356.074346715
PHUB001538 Score: 0.929	trans-rhapontigenin-3'-O-β-d-glucuronide metabolite	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB001194 Score: 0.927	Coumaric acid-3'-glucuronide metabolite	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB001539 Score: 0.923	rhapontin-3'-glucuronide metabolite	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB001520 Score: 0.913	Mono-hydroxylated pterostilbene glucuronide metabolite	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB001198 Score: 0.893	Coumaric acid-4'-O-glucuronide metabolite	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB001409 Score: 0.878	Curcumin glucuronide metabolite	C₂₇H₂₈O₁₂ Mono mass: 544.158076342
PHUB001411 Score: 0.874	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001481 Score: 0.874	resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001482 Score: 0.874	trans-resveratrol-5-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001504 Score: 0.874	cis-Resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001536 Score: 0.874	trans-deoxyrhapontigenin-3-O-β-d-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB002713 Score: 0.873	Rosmarinic acid-3-glucuronide metabolite	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB002716 Score: 0.873	3'-Methoxyrosmarinic acid-3-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB001537 Score: 0.869	trans-deoxyrhapontin-5-O-β-d-glucuronide metabolite	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB002714 Score: 0.868	Rosmarinic acid-4'-glucuronide metabolite	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB002720 Score: 0.868	4-Methoxyrosmarinic acid-4'-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002724 Score: 0.868	4'-Methoxyrosmarinic acid-3-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002725 Score: 0.868	4-Methoxyrosmarinic acid-3-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002727 Score: 0.868	3-Methoxyrosmarinic acid-4'-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002734 Score: 0.868	3',4-Dimethoxyrosmarinic acid-3-glucuronide metabolite	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB002717 Score: 0.868	3-Methoxyrosmarinic acid-3'-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB000609 Score: 0.866	Ferulic acid-4'-O-glucoside precursor	C₁₆H₂₀O₉ Mono mass: 356.110732224
PHUB000575 Score: 0.865	Caffeic acid 4-O-glucoside precursor	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002672 Score: 0.864	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB002446 Score: 0.864	3'-Methoxyrosmarinic acid-4'-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517
PHUB002731 Score: 0.864	3',4-Dimethoxyrosmarinic acid-4'-glucuronide metabolite	C₂₆H₂₈O₁₄ Mono mass: 564.147905582
PHUB002732 Score: 0.864	3,3'-Dimethoxy rosmarinic acid-4'-glucuronide metabolite	C₂₆H₂₈O₁₄ Mono mass: 564.147905582