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Mrv2104 06072104342D

43 46  0  0  0  0            999 V2000
    1.5438   -0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8181    0.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8929    0.1569    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5642    0.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2195    0.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0938   -0.6791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6688   -0.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1257   -0.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5438   -0.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9017   -0.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5438   -0.6136    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8181    0.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8929    0.1569    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5642    0.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2195    0.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0938   -0.6791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6688   -0.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1257   -0.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5438   -0.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9017   -0.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2112   -0.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172    0.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8316    1.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8316    2.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172    2.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4027    2.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4027    1.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5461    0.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2605    1.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2607    2.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5461    2.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751    2.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6895    2.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4041    2.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042    3.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6897    3.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751    3.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6883    2.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1187    3.7286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1187    4.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5462    0.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  1  0  0  0
  1  8  1  1  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  1  0  0  0
 18 19  1  1  0  0  0
 12 19  1  1  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 12 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 25 30  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
 32 34  1  0  0  0  0
 28 40  1  0  0  0  0
 32 33  1  0  0  0  0
 26 33  1  0  0  0  0
 37 41  1  0  0  0  0
 41 42  1  0  0  0  0
 30 43  2  0  0  0  0
 24 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 88 results

PHUB001905 Score: 1.0	Scorzocreticoside I 393510-25-3 precursor	C₂₈H₃₆O₁₅ Mono mass: 612.205420459
PHUB000383 Score: 0.979	Isosakuranin precursor	C₂₂H₂₄O₁₀ Mono mass: 448.136946973
PHUB000388 Score: 0.979	Prunin precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB001595 Score: 0.979	Naringenin-7-glucoside 529-55-5 precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB000376 Score: 0.969	Didymin precursor	C₂₈H₃₄O₁₄ Mono mass: 594.194855775
PHUB000392 Score: 0.969	Narirutin 14259-46-2 precursor	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB000393 Score: 0.969	Narirutin 4'-O-glucoside precursor	C₃₃H₄₂O₁₉ Mono mass: 742.232029132
PHUB000390 Score: 0.968	Naringenin 4'-O-glucoside precursor	C₂₁H₂₂O₁₀ Mono mass: 434.121296908
PHUB000389 Score: 0.964	Naringin precursor	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB000397 Score: 0.964	Poncirin precursor	C₂₈H₃₄O₁₄ Mono mass: 594.194855775
PHUB000385 Score: 0.963	Liquiritin precursor	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB000379 Score: 0.949	Eriodictyol 7-O-glucoside precursor	C₂₁H₂₂O₁₁ Mono mass: 450.116211528
PHUB002491 Score: 0.949	Hesperetin-7-O-glucoside precursor	C₂₂H₂₄O₁₁ Mono mass: 464.131861593
PHUB000377 Score: 0.939	Eriocitrin precursor	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB000381 Score: 0.939	Hesperidin precursor	C₂₈H₃₄O₁₅ Mono mass: 610.189770395
PHUB000394 Score: 0.935	Neoeriocitrin precursor	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB000395 Score: 0.935	Neohesperidin precursor	C₂₈H₃₄O₁₅ Mono mass: 610.189770395
PHUB002110 Score: 0.917	Naringenin-5,7-diglucuronide metabolite	C₂₇H₂₈O₁₇ Mono mass: 624.132649442
PHUB002111 Score: 0.917	Naringenin-4',5-diglucuronide metabolite	C₂₇H₂₈O₁₆ Mono mass: 608.137734822
PHUB002142 Score: 0.917	Naringenin-5-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB001117 Score: 0.898	Naringenin-7-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB002109 Score: 0.898	Naringenin-4´,7-diglucuronide metabolite	C₂₇H₂₈O₁₇ Mono mass: 624.132649442
PHUB000391 Score: 0.894	Naringin 6'-malonate precursor	C₃₀H₃₄O₁₇ Mono mass: 666.179599635
PHUB001113 Score: 0.893	Naringenin-4'-glucuronide metabolite	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB002113 Score: 0.887	Hesperetin-5-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB002119 Score: 0.883	Hesperetin-3´,5-diglucuronide metabolite	C₂₈H₃₀O₁₇ Mono mass: 638.148299506
PHUB002822 Score: 0.883	Hesperetin-3’,5,7-tri-glucuronide metabolite	C₃₄H₃₈O₂₃ Mono mass: 814.180387484
PHUB001096 Score: 0.879	Hesperetin 5,7-diglucuronide metabolite	C₂₈H₃₀O₁₈ Mono mass: 654.143214126
PHUB001081 Score: 0.873	Eriodictyol-7-glucuronide metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB001098 Score: 0.873	Hesperetin-7-glucuronide metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148