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Mrv2104 06072104292D

32 34  0  0  0  0            999 V2000
   -1.7855   -2.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855   -1.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2155    0.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0719   -0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0719   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -1.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -2.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    0.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568   -0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867   -0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867    1.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2155    1.5676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144   -2.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9289   -2.5575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9289   -3.3825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2144   -3.7950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5000   -3.3825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5000   -2.5575    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7855   -3.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144   -4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6434   -3.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6434   -2.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3578   -2.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6434   -1.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 26  1  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  6  0  0  0
 24 28  1  1  0  0  0
 23 29  1  6  0  0  0
 22 30  1  1  0  0  0
 30 31  1  0  0  0  0
 30 32  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 — 30 of approximately 100 results

PHUB001345 Score: 1.0	Phloretin-2'-glucuronide metabolite	C₂₁H₂₂O₁₁ Mono mass: 450.116211528
PHUB001322 Score: 0.896	Phloridzin 60-81-1 precursor metabolite	C₂₁H₂₄O₁₀ Mono mass: 436.136946973
PHUB002110 Score: 0.883	Naringenin-5,7-diglucuronide metabolite	C₂₇H₂₈O₁₇ Mono mass: 624.132649442
PHUB002111 Score: 0.883	Naringenin-4',5-diglucuronide metabolite	C₂₇H₂₈O₁₆ Mono mass: 608.137734822
PHUB002142 Score: 0.883	Naringenin-5-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB001456 Score: 0.872	Phloretin 2'-xyloglucoside precursor	C₂₆H₃₂O₁₄ Mono mass: 568.17920571
PHUB001769 Score: 0.872	Phloretin-2'-xylosyl-glucoside precursor	C₂₆H₃₂O₁₄ Mono mass: 568.17920571
PHUB001113 Score: 0.868	Naringenin-4'-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB001117 Score: 0.864	Naringenin-7-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB001759 Score: 0.862	3-Hydroxyphloretin 2'-glucoside precursor	C₂₁H₂₄O₁₁ Mono mass: 452.131861593
PHUB002027 Score: 0.862	3-Hydroxyphloridzin precursor	C₂₁H₂₄O₁₁ Mono mass: 452.131861593
PHUB002113 Score: 0.854	Hesperetin-5-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB002119 Score: 0.85	Hesperetin-3´,5-diglucuronide metabolite	C₂₈H₃₀O₁₇ Mono mass: 638.148299506
PHUB002822 Score: 0.85	Hesperetin-3’,5,7-tri-glucuronide metabolite	C₃₄H₃₈O₂₃ Mono mass: 814.180387484
PHUB001760 Score: 0.849	3-Hydroxyphloretin-2'-xylosyl-glucoside precursor	C₂₆H₃₂O₁₅ Mono mass: 584.17412033
PHUB001096 Score: 0.847	Hesperetin 5,7-diglucuronide metabolite	C₂₈H₃₀O₁₈ Mono mass: 654.143214126
PHUB002505 Score: 0.844	Phloretin-2'-O-glucoside precursor	C₂₀H₂₂O₁₀ Mono mass: 422.121296908
PHUB001081 Score: 0.84	Eriodictyol-7-glucuronide metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB001109 Score: 0.833	Homoeriodictyol-7-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001092 Score: 0.806	Hesperetin-3'-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001357 Score: 0.802	Dihydrodaidzein 7-O-glucuronide metabolite	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB001905 Score: 0.801	Scorzocreticoside I 393510-25-3 precursor	C₂₈H₃₆O₁₅ Mono mass: 612.205420459
PHUB001256 Score: 0.79	4-(1-Carboxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001582 Score: 0.79	Benzoic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001586 Score: 0.789	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB001743 Score: 0.786	(-)-Epicatechin-5-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB001741 Score: 0.785	Trilobatin 4192-90-9 precursor	C₂₀H₂₂O₁₀ Mono mass: 422.121296908
PHUB000385 Score: 0.784	Liquiritin precursor	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB000383 Score: 0.782	Isosakuranin precursor	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB000388 Score: 0.782	Prunin precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB001595 Score: 0.782	Naringenin-7-glucoside 529-55-5 precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908