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Mrv2104 04202210182D

22 24  0  0  1  0            999 V2000
    9.2184   -3.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9314   -2.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6466   -3.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6473   -3.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3626   -4.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0775   -3.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0728   -3.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3570   -2.6120    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   12.7847   -2.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4987   -3.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2101   -2.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2056   -1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4836   -1.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7753   -1.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167   -1.3544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4757   -0.5393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7934   -4.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9268   -3.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9332   -4.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9332   -5.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2196   -3.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5051   -2.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 21  1  2  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  5  6  2  0  0  0  0
 12 15  1  0  0  0  0
  3  2  2  0  0  0  0
 13 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  2 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  7  9  1  0  0  0  0
  1 19  1  0  0  0  0
  9 10  2  0  0  0  0
  3  4  1  0  0  0  0
 10 11  1  0  0  0  0
 19  4  2  0  0  0  0
 11 12  2  0  0  0  0
  4  5  1  0  0  0  0
 11 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  1   8   1
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 — 28 of approximately 28 results

PHUB000483 Score: 1.0	Cyanidin precursor	C₁₅H₁₁O₆ Mono mass: 287.055014494
PHUB001418 Score: 1.0	Delphinidin precursor	C₁₅H₁₁O₇ Mono mass: 303.049929114
PHUB002695 Score: 0.953	4'-Methoxycyanidin metabolite	C₁₆H₁₃O₆ Mono mass: 301.070664559
PHUB000505 Score: 0.934	Pelargonidin precursor	C₁₅H₁₁O₅ Mono mass: 271.060099874
PHUB001626 Score: 0.931	Peonidin precursor	C₁₆H₁₃O₆ Mono mass: 301.070664559
PHUB002694 Score: 0.931	3'-Methoxycyanidin metabolite	C₁₆H₁₃O₆ Mono mass: 301.070664559
PHUB001419 Score: 0.924	Petunidin precursor metabolite	C₁₆H₁₃O₇ Mono mass: 317.065579179
PHUB001455 Score: 0.917	Malvidin precursor	C₁₇H₁₅O₇ Mono mass: 331.081229243
PHUB000694 Score: 0.823	Myricetin precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000702 Score: 0.823	Quercetin 117-39-5 precursor metabolite	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000657 Score: 0.807	Fisetin precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000662 Score: 0.776	Isorhamnetin precursor metabolite	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000721 Score: 0.776	Rhamnetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000672 Score: 0.769	Kaempferol precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000658 Score: 0.755	Galangin precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000857 Score: 0.755	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000671 Score: 0.743	Kaempferide precursor	C₁₆H₁₁O₆ Mono mass: 299.056111654
PHUB000693 Score: 0.743	Morin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000892 Score: 0.743	Luteolin 491-70-3 precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000652 Score: 0.742	6,8-Dihydroxykaempferol precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB002780 Score: 0.742	Herbacetin 527-95-7 precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000859 Score: 0.732	7,3',4'-Trihydroxyflavone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000647 Score: 0.729	3,7-Dimethylquercetin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000655 Score: 0.729	Axillarin precursor	C₁₇H₁₄O₈ Mono mass: 346.068867411
PHUB001876 Score: 0.722	Betuletol 35214-88-1 precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000900 Score: 0.716	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000880 Score: 0.713	Diosmetin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000905 Score: 0.707	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000890 Score: 0.703	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791