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Mrv2104 06072104272D

22 24  0  0  0  0            999 V2000
   -0.3544   -0.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3620    0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3468    1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3431    2.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720    2.2802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7758    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4921    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0632    1.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670    0.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4959    0.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2123   -0.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7796   -2.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7833   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708   -1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0745   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909    0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035   -0.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997   -1.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2123   -1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2085   -2.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  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 69 results

PHUB000880 Score: 1.0	Diosmetin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000871 Score: 0.978	Chrysoeriol precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000910 Score: 0.965	Tricin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000892 Score: 0.956	Luteolin 491-70-3 precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000885 Score: 0.942	Geraldone precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000900 Score: 0.938	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000859 Score: 0.919	7,3',4'-Trihydroxyflavone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000890 Score: 0.919	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000882 Score: 0.913	Eupatilin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000857 Score: 0.909	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000862 Score: 0.907	Apigenin 7,4'-dimethyl ether precursor	C₁₇H₁₄O₅ Mono mass: 298.084123551
PHUB000878 Score: 0.907	Cirsiliol precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000883 Score: 0.907	Eupatorin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002994 Score: 0.907	5,3′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB001880 Score: 0.893	Tectochrysin 520-28-5 precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866
PHUB000861 Score: 0.89	Apigenin 520-36-5 precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000886 Score: 0.89	Hispidulin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000877 Score: 0.889	Cirsilineol precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002995 Score: 0.889	5,4′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000870 Score: 0.875	Chrysin precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000872 Score: 0.874	Chrysin 5,7-dimethyl ether precursor	C₁₇H₁₄O₄ Mono mass: 282.089208931
PHUB000662 Score: 0.872	Isorhamnetin precursor metabolite	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000906 Score: 0.872	Sinensetin precursor	C₂₀H₂₀O₇ Mono mass: 372.120902984
PHUB000879 Score: 0.867	Cirsimaritin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB000905 Score: 0.86	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000721 Score: 0.86	Rhamnetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000694 Score: 0.85	Myricetin precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000702 Score: 0.85	Quercetin 117-39-5 precursor metabolite	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000908 Score: 0.85	Tetramethylscutellarein precursor	C₁₉H₁₈O₆ Mono mass: 342.1103383
PHUB000868 Score: 0.846	Baicalein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000860 Score: 0.846	7,4'-Dihydroxyflavone precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000671 Score: 0.842	Kaempferide precursor	C₁₆H₁₁O₆ Mono mass: 299.056111654