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Mrv2104 06072104302D

29 31  0  0  0  0            999 V2000
   -1.8998   -0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142   -0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287   -0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287    0.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142    0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998    0.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0432    0.7514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998    1.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287    1.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287    2.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142    3.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998    2.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142    1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0432    3.2264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142   -1.7236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287    4.4639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0432    5.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7577    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7577    4.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0432    4.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4722    4.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4722    5.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0432    6.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142    5.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142    6.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998    5.2889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
 14 10  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
  2 17  1  0  0  0  0
 23 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
 20 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 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 — 30 of approximately 100 results

PHUB001483 Score: 1.0	trans-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001505 Score: 1.0	cis-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001517 Score: 0.981	Mono-demethylated pterostilbene glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001514 Score: 0.975	Pterostilbene-glucuronide metabolite	C₂₂H₂₄O₉ Mono mass: 432.142032353
PHUB001411 Score: 0.969	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001481 Score: 0.969	resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001482 Score: 0.969	trans-resveratrol-5-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001504 Score: 0.969	cis-Resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001536 Score: 0.969	trans-deoxyrhapontigenin-3-O-β-d-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001537 Score: 0.963	trans-deoxyrhapontin-5-O-β-d-glucuronide metabolite	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB001520 Score: 0.919	Mono-hydroxylated pterostilbene glucuronide metabolite	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB001538 Score: 0.913	trans-rhapontigenin-3'-O-β-d-glucuronide metabolite	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB001539 Score: 0.908	rhapontin-3'-glucuronide metabolite	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB001554 Score: 0.898	Oxyresveratrol-2-O-β-D-glucuronosyl metabolite	C₂₀H₂₀O₁₀ Mono mass: 420.105646844
PHUB001194 Score: 0.889	Coumaric acid-3'-glucuronide metabolite	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB001198 Score: 0.887	Coumaric acid-4'-O-glucuronide metabolite	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB001917 Score: 0.871	caffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₆O₁₀ Mono mass: 356.074346715
PHUB002389 Score: 0.864	Tyrosol glucuronide metabolite	C₁₄H₁₈O₈ Mono mass: 314.10016754
PHUB001170 Score: 0.861	Ferulic acid-4'-O-glucuronide 86321-24-6 metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB001916 Score: 0.856	caffeic acid-3'-O-glucuronide metabolite	C₁₅H₁₆O₁₀ Mono mass: 356.074346715
PHUB001432 Score: 0.852	Isoferulic acid-3'-O-glucuronide 1065272-10-7 metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB002709 Score: 0.852	Ferulic acid-3-glucuronide metabolite	C₁₆H₁₈O₁₀ Mono mass: 370.08999678
PHUB001413 Score: 0.843	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB000339 Score: 0.842	Resveratrol 4'-glucoside precursor	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB001256 Score: 0.839	4-(1-Carboxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001582 Score: 0.839	Benzoic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001586 Score: 0.838	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002669 Score: 0.83	Vanillin-4-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB000325 Score: 0.822	Piceid (trans-) precursor metabolite	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB000326 Score: 0.822	Resveratrol 5-O-glucoside precursor	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB000334 Score: 0.822	Piceid (cis-) precursor metabolite	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB001542 Score: 0.822	Deoxyrhapontin precursor	C₂₁H₂₄O₈ Mono mass: 404.147117733
PHUB002390 Score: 0.817	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.817	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216