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Mrv2104 06072104202D

32 35  0  0  0  0            999 V2000
   10.5206   -7.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2351   -8.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2351   -8.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206   -9.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8061   -8.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8061   -8.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206  -10.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2351  -10.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9496  -10.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6640  -10.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6640  -11.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9496  -11.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2351  -11.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3784  -10.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0930  -10.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0930  -11.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3784  -11.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8074  -11.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5219  -11.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8074  -12.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5219  -12.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2363  -12.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2363  -11.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9509  -12.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3784  -12.5674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -9.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -7.6174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206   -6.7924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9496   -7.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6640   -8.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206  -11.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206  -12.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 17  2  0  0  0  0
 26  5  1  0  0  0  0
 27  6  1  0  0  0  0
 28  1  1  0  0  0  0
 29  2  1  0  0  0  0
 30 29  1  0  0  0  0
 31 13  1  0  0  0  0
 32 31  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

PHUB000228 Score: 1.0	Glycitin precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB000216 Score: 0.942	6''-O-Acetylglycitin precursor	C₂₄H₂₄O₁₁ Mono mass: 488.131861593
PHUB000219 Score: 0.921	6''-O-Malonylglycitin precursor	C₂₅H₂₄O₁₃ Mono mass: 532.121690833
PHUB000223 Score: 0.891	Daidzin precursor	C₂₁H₂₀O₉ Mono mass: 416.110732224
PHUB000226 Score: 0.868	Genistin precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB000214 Score: 0.839	6''-O-Acetyldaidzin precursor	C₂₃H₂₂O₁₀ Mono mass: 458.121296908
PHUB000217 Score: 0.825	6''-O-Malonyldaidzin precursor	C₂₄H₂₂O₁₂ Mono mass: 502.111126148
PHUB002981 Score: 0.822	Homoplantaginin precursor	C₂₃H₂₄O₁₀ Mono mass: 460.136946973
PHUB000215 Score: 0.819	6''-O-Acetylgenistin precursor	C₂₃H₂₂O₁₁ Mono mass: 474.116211528
PHUB001353 Score: 0.818	Daidzein 7-O-glucuronide metabolite	C₂₁H₁₈O₁₀ Mono mass: 430.08999678
PHUB002130 Score: 0.818	Daidzein-4',7-diglucuronide metabolite	C₂₇H₂₆O₁₆ Mono mass: 606.122084757
PHUB000218 Score: 0.806	6''-O-Malonylgenistin precursor	C₂₄H₂₂O₁₃ Mono mass: 518.106040768
PHUB001359 Score: 0.806	Biochanin A-7-O-glucuronide metabolite	C₂₂H₂₀O₁₁ Mono mass: 460.100561464
PHUB001367 Score: 0.806	Genistein 7-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB002125 Score: 0.806	Genistein 4',7-diglucuronide metabolite	C₂₇H₂₆O₁₇ Mono mass: 622.116999377
PHUB001354 Score: 0.801	Daidzein 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₀ Mono mass: 430.08999678
PHUB000858 Score: 0.795	6-Hydroxyluteolin 7-O-rhamnoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB002127 Score: 0.791	Genistein 4'-O-glucuronide metabolite	C₂₁H₁₈O₁₁ Mono mass: 446.0849114
PHUB002131 Score: 0.785	Daidzein-7-glucuronide-4'-sulfate metabolite	C₂₁H₁₈O₁₃S Mono mass: 510.046811814
PHUB002665 Score: 0.768	Scopoletin 7-glucoside 208333-72-6 precursor	C₂₁H₂₆O₉ Mono mass: 422.157682417
PHUB000668 Score: 0.766	Isorhamnetin 4'-O-glucoside 58902-89-9 precursor metabolite	C₂₂H₂₂O₁₂ Mono mass: 478.111126148
PHUB000719 Score: 0.763	Quercetin 7,4'-O-diglucoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB002993 Score: 0.758	Scutellarin metabolite	C₂₁H₁₈O₁₂ Mono mass: 462.07982602
PHUB003004 Score: 0.754	Quercetin 3'-O-glucoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000727 Score: 0.753	Spiraeoside precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000729 Score: 0.753	Quercetin 4'-O-glucoside 20229-56-5 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000876 Score: 0.75	Chrysoeriol 7-O-glucoside precursor	C₂₂H₂₂O₁₁ Mono mass: 462.116211528
PHUB000697 Score: 0.748	Myricetin 3-O-glucoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000865 Score: 0.748	Apigenin 7-O-glucoside precursor	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB000691 Score: 0.746	Kaempferol 7-O-glucoside precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464
PHUB000896 Score: 0.745	Luteolin 7-O-glucoside 5373-11-5 precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464