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Mrv2104 06072104292D

31 33  0  0  0  0            999 V2000
   -0.7131   -1.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    1.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -1.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156    1.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593    2.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    2.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -1.6567    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4280   -2.4817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1430   -2.8942    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8580   -2.4817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8580   -1.6567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1430   -1.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -2.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -3.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   -2.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   -1.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2881   -1.6567    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  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  6  0  0  0
 23 24  1  0  0  0  0
 23 28  1  1  0  0  0
 24 25  1  0  0  0  0
 24 29  1  6  0  0  0
 25 26  1  0  0  0  0
 25 30  1  1  0  0  0
 30 31  1  0  0  0  0
 21  1  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 51 results

PHUB001322 Score: 1.0	Phloridzin 60-81-1 precursor metabolite	C₂₁H₂₄O₁₀ Mono mass: 436.136946973
PHUB001456 Score: 0.97	Phloretin 2'-xyloglucoside precursor	C₂₆H₃₂O₁₄ Mono mass: 568.17920571
PHUB001769 Score: 0.97	Phloretin-2'-xylosyl-glucoside precursor	C₂₆H₃₂O₁₄ Mono mass: 568.17920571
PHUB001759 Score: 0.959	3-Hydroxyphloretin 2'-glucoside precursor	C₂₁H₂₄O₁₁ Mono mass: 452.131861593
PHUB002027 Score: 0.959	3-Hydroxyphloridzin precursor	C₂₁H₂₄O₁₁ Mono mass: 452.131861593
PHUB001760 Score: 0.942	3-Hydroxyphloretin-2'-xylosyl-glucoside precursor	C₂₆H₃₂O₁₅ Mono mass: 584.17412033
PHUB002505 Score: 0.94	Phloretin-2'-O-glucoside precursor	C₂₀H₂₂O₁₀ Mono mass: 422.121296908
PHUB001345 Score: 0.896	Phloretin-2'-glucuronide metabolite	C₂₁H₂₂O₁₁ Mono mass: 450.116211528
PHUB001741 Score: 0.874	Trilobatin 4192-90-9 precursor	C₂₀H₂₂O₁₀ Mono mass: 422.121296908
PHUB001905 Score: 0.862	Scorzocreticoside I 393510-25-3 precursor	C₂₈H₃₆O₁₅ Mono mass: 612.205420459
PHUB000385 Score: 0.845	Liquiritin precursor	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB000383 Score: 0.841	Isosakuranin precursor	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB000388 Score: 0.841	Prunin precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB001595 Score: 0.841	Naringenin-7-glucoside 529-55-5 precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB000390 Score: 0.84	Naringenin 4'-O-glucoside precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB000376 Score: 0.832	Didymin precursor	C₂₈H₃₄O₁₄ Mono mass: 594.194855775
PHUB000392 Score: 0.832	Narirutin 14259-46-2 precursor	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB000393 Score: 0.832	Narirutin 4'-O-glucoside precursor	C₃₃H₄₂O₁₉ Mono mass: 742.232029132
PHUB000389 Score: 0.828	Naringin precursor	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB000397 Score: 0.828	Poncirin precursor	C₂₈H₃₄O₁₄ Mono mass: 594.194855775
PHUB000379 Score: 0.816	Eriodictyol 7-O-glucoside precursor	C₂₁H₂₂O₁₁ Mono mass: 450.116211528
PHUB002491 Score: 0.816	Hesperetin-7-O-glucoside precursor	C₂₂H₂₄O₁₁ Mono mass: 464.131861593
PHUB000377 Score: 0.808	Eriocitrin precursor	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB000381 Score: 0.808	Hesperidin precursor	C₂₈H₃₄O₁₅ Mono mass: 610.189770395
PHUB000394 Score: 0.804	Neoeriocitrin precursor	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB000395 Score: 0.804	Neohesperidin precursor	C₂₈H₃₄O₁₅ Mono mass: 610.189770395
PHUB002110 Score: 0.791	Naringenin-5,7-diglucuronide metabolite	C₂₇H₂₈O₁₇ Mono mass: 624.132649442
PHUB002111 Score: 0.791	Naringenin-4',5-diglucuronide metabolite	C₂₇H₂₈O₁₆ Mono mass: 608.137734822
PHUB002142 Score: 0.791	Naringenin-5-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB001113 Score: 0.776	Naringenin-4'-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB001117 Score: 0.772	Naringenin-7-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464