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Mrv2104 06072104302D

46 51  0  0  0  0            999 V2000
    1.8721    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568    0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872    1.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568    1.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721    1.9196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    1.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1692   -0.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8102   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858    0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713   -0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1497    0.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1497    1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142   -1.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552   -1.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858    1.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858   -0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752    0.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752    1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1073   -1.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -2.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2516   -1.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8003    2.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858   -1.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0877    1.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8003   -2.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713   -2.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9126    1.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8003   -2.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713   -2.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858   -3.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858   -4.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5628    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1502    3.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1502    1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3877    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3252    3.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5628    4.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3252    1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8003    1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8003    3.3957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9126    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9126    4.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0877    2.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 22  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 38 42  1  0  0  0  0
 38 43  2  0  0  0  0
 39 44  1  0  0  0  0
 39 45  1  0  0  0  0
 44 46  1  0  0  0  0
 41 44  1  0  0  0  0
 30 41  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 41 results

PHUB001555 Score: 1.0	ε-viniferin glucuronide metabolite	C₃₄H₃₀O₁₂ Mono mass: 630.173726406
PHUB001556 Score: 0.916	trans-δ-viniferin glucuronide metabolite	C₃₄H₃₀O₁₂ Mono mass: 630.173726406
PHUB000329 Score: 0.905	Viniferin 3',5'-diglucoside (Epsilon-) precursor	C₄₀H₄₂O₁₆ Mono mass: 778.247285272
PHUB001029 Score: 0.748	(-)-Epicatechin 3'-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB002311 Score: 0.748	(+)-epicatechin-3′-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB003026 Score: 0.746	Equol 4'-O-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB003025 Score: 0.743	Equol 7-O-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001896 Score: 0.742	3'-Methyl-epicatechin-7-O-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002148 Score: 0.742	3′-Methoxy-(−)-epicatechin-7-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001746 Score: 0.741	(-)-Epicatechin-7-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB002310 Score: 0.741	4′-methoxy-(−)-epicatechin-7-β-D-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001744 Score: 0.74	3'-O-Methoxy-(-)-epicatechin-5-O-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002266 Score: 0.74	3′-Methoxy-(−)-epicatechin-5′-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001743 Score: 0.739	(-)-Epicatechin-5-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB003037 Score: 0.729	Trifolirhizin precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB000318 Score: 0.719	Viniferin (Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB000338 Score: 0.719	Viniferin (cis-Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001564 Score: 0.719	Viniferin (Omega-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001554 Score: 0.71	Oxyresveratrol-2-O-β-D-glucuronosyl metabolite	C₂₀H₂₀O₁₀ Mono mass: 420.105646844
PHUB000342 Score: 0.708	Miyabenol C precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB001576 Score: 0.706	Scirpusin A precursor	C₂₈H₂₂O₇ Mono mass: 470.136553048
PHUB001411 Score: 0.706	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001481 Score: 0.706	resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001482 Score: 0.706	trans-resveratrol-5-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001504 Score: 0.706	cis-Resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001530 Score: 0.706	trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide metabolite	C₂₆H₂₈O₁₅ Mono mass: 580.142820202
PHUB001536 Score: 0.706	trans-deoxyrhapontigenin-3-O-β-d-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001092 Score: 0.705	Hesperetin-3'-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB001357 Score: 0.704	Dihydrodaidzein 7-O-glucuronide metabolite	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB002714 Score: 0.703	Rosmarinic acid-4'-glucuronide metabolite	C₂₄H₂₄O₁₄ Mono mass: 536.116605453
PHUB002720 Score: 0.703	4-Methoxyrosmarinic acid-4'-glucuronide metabolite	C₂₅H₂₆O₁₄ Mono mass: 550.132255517