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Mrv2104 06072104302D

42 45  0  0  0  0            999 V2000
    0.3572   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0717   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    3.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    4.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    5.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    3.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    5.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    4.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    5.9815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    4.7439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    5.9815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    3.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    5.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2152   -5.9815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2152   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -4.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -3.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -3.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -5.9815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -4.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -3.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -3.5064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -5.1565    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 11  2  0  0  0  0
 11 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  2  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 25 30  1  0  0  0  0
 28 31  1  0  0  0  0
 25 28  1  0  0  0  0
 15 30  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  1  0  0  0  0
 35 36  1  0  0  0  0
 36 40  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 42  1  0  0  0  0
 40 41  1  0  0  0  0
 36  8  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

PHUB001539 Score: 1.0	rhapontin-3'-glucuronide metabolite	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB001538 Score: 0.994	trans-rhapontigenin-3'-O-β-d-glucuronide metabolite	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB001520 Score: 0.977	Mono-hydroxylated pterostilbene glucuronide metabolite	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB001411 Score: 0.937	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001481 Score: 0.937	resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001482 Score: 0.937	trans-resveratrol-5-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001504 Score: 0.937	cis-Resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001536 Score: 0.937	trans-deoxyrhapontigenin-3-O-β-d-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001537 Score: 0.931	trans-deoxyrhapontin-5-O-β-d-glucuronide metabolite	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB001432 Score: 0.929	Isoferulic acid-3'-O-glucuronide metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB002709 Score: 0.929	Ferulic acid-3-glucuronide metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB001517 Score: 0.925	Mono-demethylated pterostilbene glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001916 Score: 0.923	caffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₆O₁₀ Mono mass: 356.074346715
PHUB001514 Score: 0.92	Pterostilbene-glucuronide metabolite	C₂₂H₂₄O₉ Mono mass: 432.142032353
PHUB001170 Score: 0.918	Ferulic acid-4'-O-glucuronide metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB001483 Score: 0.908	trans-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001505 Score: 0.908	cis-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001917 Score: 0.907	caffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₆O₁₀ Mono mass: 356.074346715
PHUB001953 Score: 0.891	Methoxyeugenol glucuronide metabolite	C₁₇H₂₂O₉ Mono mass: 370.126382288
PHUB002669 Score: 0.888	Vanillin-4-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB002672 Score: 0.883	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB002391 Score: 0.872	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002390 Score: 0.866	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.866	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001277 Score: 0.862	Isovanillic acid-3-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001293 Score: 0.862	Vanillic acid 4-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001554 Score: 0.862	Oxyresveratrol-2-O-β-D-glucuronosyl metabolite	C₂₀H₂₀O₁₀ Mono mass: 420.105646844
PHUB001340 Score: 0.859	Homovanillic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001435 Score: 0.859	Dihydroferulic acid-4'-O-glucuronide metabolite	C₁₆H₂₀O₁₀ Mono mass: 372.105646844
PHUB001409 Score: 0.858	Curcumin glucuronide metabolite	C₂₇H₂₈O₁₂ Mono mass: 544.158076342
PHUB001443 Score: 0.857	Syringic acid-4-O-glucuronide metabolite	C₁₅H₁₈O₁₁ Mono mass: 374.0849114
PHUB001194 Score: 0.852	Coumaric acid-3'-glucuronide metabolite	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB001204 Score: 0.849	Dihydrocaffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002766 Score: 0.847	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464