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Mrv2104 03222309192D

22 23  0  0  0  0            999 V2000
    2.5015    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3580    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3579   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0709    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935    1.2277    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7579    1.9814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428    2.6488    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0633    2.5626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3990    1.8090    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9140    1.1415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2193    1.7228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2495    0.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482    3.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074    3.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3923    4.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0869    3.4888    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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 10  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 11 12  1  0  0  0  0
 14 19  1  6  0  0  0
 16 18  1  6  0  0  0
 13 20  1  1  0  0  0
 20 22  2  0  0  0  0
 20 21  1  0  0  0  0
 15 17  1  1  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

PHUB002817 Score: 1.0	Benzoic acid-3-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB002903 Score: 0.982	5-Carboxyresorcinol 3-O-beta-D-Glucuronide metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.05869664
PHUB001254 Score: 0.925	3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001288 Score: 0.925	Protocatechuic acid-3-O-glucuronide metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001277 Score: 0.909	Isovanillic acid-3-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001293 Score: 0.909	Vanillic acid 4-O-glucuronide metabolite	C₁₄H₁₆O₁₀ Mono mass: 344.074346715
PHUB001256 Score: 0.908	4-(1-Carboxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001582 Score: 0.908	Benzoic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001255 Score: 0.896	4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001290 Score: 0.896	Protocatechuic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₁₀ Mono mass: 330.058696651
PHUB001443 Score: 0.883	Syringic acid-4-O-glucuronide metabolite	C₁₅H₁₈O₁₁ Mono mass: 374.0849114
PHUB002800 Score: 0.872	3-(phenyl)hydracrylic acid-3′-glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002463 Score: 0.858	3-(3′-Hydroxyphenyl)propionic acid-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002802 Score: 0.858	3-(phenyl)-propionic acid-3’-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB001382 Score: 0.849	3-(3,5-Dihydroxyphenyl)propionic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB002810 Score: 0.842	Benzoic acid-3,4 di-glucuronide metabolite	C₁₉H₂₂O₁₆ Mono mass: 506.090784628
PHUB002669 Score: 0.841	Vanillin-4-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB002133 Score: 0.838	5-n-nonadecylresorcinol glucuronide metabolite	C₃₁H₅₂O₈ Mono mass: 552.366218634
PHUB001413 Score: 0.833	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB002844 Score: 0.831	Phenylacetic acid-3’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB002389 Score: 0.831	Tyrosol glucuronide metabolite	C₁₄H₁₈O₈ Mono mass: 314.10016754
PHUB001491 Score: 0.829	Dihydro-resveratrol-3,5-diglucuronide metabolite	C₂₆H₃₀O₁₅ Mono mass: 582.158470266
PHUB001586 Score: 0.828	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB001411 Score: 0.815	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001481 Score: 0.815	resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001482 Score: 0.815	trans-resveratrol-5-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001504 Score: 0.815	cis-Resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001530 Score: 0.815	trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide metabolite	C₂₆H₂₈O₁₅ Mono mass: 580.142820202
PHUB001536 Score: 0.815	trans-deoxyrhapontigenin-3-O-β-d-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001309 Score: 0.813	Hydroquinone glucuronide metabolite	C₁₂H₁₄O₈ Mono mass: 286.068867411
PHUB001531 Score: 0.81	trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide metabolite	C₂₆H₂₈O₁₅ Mono mass: 580.142820202
PHUB001537 Score: 0.81	trans-deoxyrhapontin-5-O-β-d-glucuronide metabolite	C₂₇H₃₂O₁₄ Mono mass: 580.17920571