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Mrv2104 04202210212D

20 22  0  0  0  0            999 V2000
   -1.0360   -0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0360    0.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505   -1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505    0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4649   -0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4649    0.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930   -0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930    0.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3215   -1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3215    0.4331    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.1074    0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    1.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219    0.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219    1.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    1.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505   -2.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793    0.4331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074   -1.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508    1.6706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  1  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
 16 15  1  0  0  0  0
  8 11  1  0  0  0  0
 17  3  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 16  1  0  0  0  0
M  CHG  1  10   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 — 26 of approximately 26 results

PHUB000505 Score: 1.0	Pelargonidin precursor	C₁₅H₁₁O₅ Mono mass: 271.060099874
PHUB000483 Score: 0.934	Cyanidin precursor	C₁₅H₁₁O₆ Mono mass: 287.055014494
PHUB001418 Score: 0.934	Delphinidin precursor	C₁₅H₁₁O₇ Mono mass: 303.049929114
PHUB002695 Score: 0.89	4'-Methoxycyanidin metabolite	C₁₆H₁₃O₆ Mono mass: 301.070664559
PHUB001626 Score: 0.869	Peonidin precursor	C₁₆H₁₃O₆ Mono mass: 301.070664559
PHUB002694 Score: 0.869	3'-Methoxycyanidin metabolite	C₁₆H₁₃O₆ Mono mass: 301.070664559
PHUB001419 Score: 0.863	Petunidin precursor metabolite	C₁₆H₁₃O₇ Mono mass: 317.065579179
PHUB001455 Score: 0.856	Malvidin precursor	C₁₇H₁₅O₇ Mono mass: 331.081229243
PHUB000672 Score: 0.813	Kaempferol precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000658 Score: 0.799	Galangin precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000671 Score: 0.785	Kaempferide precursor	C₁₆H₁₁O₆ Mono mass: 299.056111654
PHUB000693 Score: 0.785	Morin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000694 Score: 0.769	Myricetin precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000702 Score: 0.769	Quercetin 117-39-5 precursor metabolite	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000652 Score: 0.758	6,8-Dihydroxykaempferol precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB002780 Score: 0.758	Herbacetin 527-95-7 precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000657 Score: 0.752	Fisetin precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB001876 Score: 0.748	Betuletol 35214-88-1 precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000905 Score: 0.736	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000662 Score: 0.724	Isorhamnetin precursor metabolite	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000721 Score: 0.724	Rhamnetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000868 Score: 0.721	Baicalein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000692 Score: 0.721	3-O-Methylgalangin precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000861 Score: 0.721	Apigenin 520-36-5 precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000857 Score: 0.712	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000870 Score: 0.706	Chrysin precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000860 Score: 0.701	7,4'-Dihydroxyflavone precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802