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Mrv2104 02212416312D

30 33  0  0  1  0            999 V2000
    4.2364   -2.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -2.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -4.7701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -3.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -3.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140    0.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -2.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.4701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4170    4.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -3.9451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9508   -3.5326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5219   -3.5326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9508   -2.7075    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5219   -2.7075    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4043    1.4718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6882    1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6851    0.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1172    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3980   -0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -1.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4074    2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4079   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9327   -0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9227   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6946    2.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1235    2.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6978    3.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1267    3.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4139    3.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
 13  2  1  1  0  0  0
  2 20  1  0  0  0  0
 10  3  1  1  0  0  0
 11  4  1  6  0  0  0
 12  5  1  6  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 22  1  0  0  0  0
  8 22  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 22  1  1  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 21  1  1  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 24  1  0  0  0  0
 19 23  1  0  0  0  0
 20 23  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 24 25  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  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 97 results

PHUB003025 Score: 1.0	Equol 7-O-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB003026 Score: 0.995	Equol 4'-O-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001357 Score: 0.91	Dihydrodaidzein 7-O-glucuronide metabolite	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB001362 Score: 0.905	Formononetin 7-O-glucuronide metabolite	C₂₂H₂₂O₁₁ Mono mass: 462.116211528
PHUB001491 Score: 0.81	Dihydro-resveratrol-3,5-diglucuronide metabolite	C₂₆H₃₀O₁₅ Mono mass: 582.158470266
PHUB001413 Score: 0.804	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB002389 Score: 0.791	Tyrosol glucuronide metabolite	C₁₄H₁₈O₈ Mono mass: 314.10016754
PHUB001586 Score: 0.789	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002848 Score: 0.78	Phenylacetic acid-4’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB002247 Score: 0.777	5-(Phenyl)-γ-valerolactone-4'-glucuronide metabolite	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB001345 Score: 0.776	Phloretin-2'-glucuronide metabolite	C₂₁H₂₂O₁₁ Mono mass: 450.116211528
PHUB001746 Score: 0.772	(-)-Epicatechin-7-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB002310 Score: 0.772	4′-methoxy-(−)-epicatechin-7-β-D-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001382 Score: 0.771	3-(3,5-Dihydroxyphenyl)propionic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001743 Score: 0.77	(-)-Epicatechin-5-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB002191 Score: 0.765	5-(Phenyl)-γ-valerolactone-5′-methoxy-3′-glucuronide metabolite	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB001896 Score: 0.765	3'-Methyl-epicatechin-7-O-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002148 Score: 0.765	3′-Methoxy-(−)-epicatechin-7-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001744 Score: 0.763	3'-O-Methoxy-(-)-epicatechin-5-O-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002266 Score: 0.763	3′-Methoxy-(−)-epicatechin-5′-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002186 Score: 0.76	5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB001256 Score: 0.753	4-(1-Carboxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001582 Score: 0.753	Benzoic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB002133 Score: 0.753	5-n-nonadecylresorcinol glucuronide metabolite	C₃₁H₅₂O₈ Mono mass: 552.366218634
PHUB002463 Score: 0.75	3-(3′-Hydroxyphenyl)propionic acid-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002802 Score: 0.75	3-(phenyl)-propionic acid-3’-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB001556 Score: 0.748	trans-δ-viniferin glucuronide metabolite	C₃₄H₃₀O₁₂ Mono mass: 630.173726406
PHUB001554 Score: 0.746	Oxyresveratrol-2-O-β-D-glucuronosyl metabolite	C₂₀H₂₀O₁₀ Mono mass: 420.105646844
PHUB002844 Score: 0.746	Phenylacetic acid-3’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB001117 Score: 0.745	Naringenin-7-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464