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Mrv2104 03222310592D

23 24  0  0  0  0            999 V2000
    1.3926   -0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0362   -0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782   -1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782    0.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0362   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773   -1.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782    1.1993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361    1.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4124   -1.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4555   -0.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1043   -1.4568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361    2.4369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7507    2.8495    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4651    2.4369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4652    1.6119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7506    1.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1797    1.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1796    2.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    3.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782    2.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8941    1.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1797    0.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  5  2  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
  7 10  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 13  1  0  0  0  0
 16 17  1  0  0  0  0
  9 17  1  0  0  0  0
 16 18  1  1  0  0  0
 13 21  1  6  0  0  0
 14 20  1  1  0  0  0
 15 19  1  6  0  0  0
 18 22  2  0  0  0  0
 18 23  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

PHUB002463 Score: 0.907	3-(3′-Hydroxyphenyl)propionic acid-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002802 Score: 0.907	3-(phenyl)-propionic acid-3’-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002814 Score: 0.906	4’-methoxy-acetic acid-3’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002843 Score: 0.906	Phenylacetic acid-3’,4’-di-glucuronide metabolite	C₂₀H₂₄O₁₆ Mono mass: 520.106434693
PHUB002389 Score: 0.904	Tyrosol glucuronide metabolite	C₁₄H₁₈O₈ Mono mass: 314.10016754
PHUB001340 Score: 0.901	Homovanillic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002806 Score: 0.901	3’-methoxy-phenylacetic acid-4’-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002391 Score: 0.893	Hydroxytyrosol 3'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB001413 Score: 0.892	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB001382 Score: 0.886	3-(3,5-Dihydroxyphenyl)propionic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002133 Score: 0.886	5-n-nonadecylresorcinol glucuronide metabolite	C₃₁H₅₂O₈ Mono mass: 552.366218634
PHUB002800 Score: 0.876	3-(phenyl)hydracrylic acid-3′-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002390 Score: 0.875	Hydroxytyrosol 4'-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002602 Score: 0.875	Hydroxytyrosol 4′-glucuronide metabolite	C₁₄H₁₈O₉ Mono mass: 330.09508216
PHUB002672 Score: 0.871	Homovanillyl alcohol-4′-O-β-glucuronide metabolite	C₁₅H₂₀O₉ Mono mass: 344.110732224
PHUB002237 Score: 0.866	5-(Phenyl)-γ-valerolactone-3'-glucuronide metabolite	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB001586 Score: 0.854	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002238 Score: 0.852	4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB001204 Score: 0.846	Dihydrocaffeic acid-3'-O-glucuronide 1187945-71-6 metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001745 Score: 0.835	5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide metabolite	C₁₇H₂₂O₁₁ Mono mass: 402.116211528
PHUB002766 Score: 0.833	4-Methoxyphenyllactic acid-3-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001748 Score: 0.832	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide metabolite	C₁₈H₂₄O₁₁ Mono mass: 416.131861593
PHUB002817 Score: 0.831	Benzoic acid-3-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001205 Score: 0.829	Dihydrocaffeic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002767 Score: 0.828	3-Methoxyphenyllactic acid-4-glucuronide metabolite	C₁₆H₂₀O₁₁ Mono mass: 388.100561464
PHUB001411 Score: 0.828	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001481 Score: 0.828	resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001482 Score: 0.828	trans-resveratrol-5-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001504 Score: 0.828	cis-Resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001536 Score: 0.828	trans-deoxyrhapontigenin-3-O-β-d-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001309 Score: 0.827	Hydroquinone glucuronide metabolite	C₁₂H₁₄O₈ Mono mass: 286.068867411
PHUB001435 Score: 0.826	Dihydroferulic acid-4'-O-glucuronide 86321-28-0 metabolite	C₁₆H₂₀O₁₀ Mono mass: 372.105646844