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Mrv2104 12252212082D

18 19  0  0  0  0            999 V2000
    0.5358   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9647   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9647   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -2.1656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6075   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6075    0.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786    0.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365    0.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6075   -2.1656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  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
  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
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 10 17  1  0  0  0  0
  3 18  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 — 4 of approximately 4 results

PHUB002546 Score: 1.0	Iriflophenone 52591-10-3 precursor	C₁₃H₁₀O₅ Mono mass: 246.052823422
PHUB002545 Score: 0.857	Maclurin 519-34-6 precursor	C₁₃H₁₀O₆ Mono mass: 262.047738042
PHUB000626 Score: 0.757	Paeonol precursor	C₉H₁₀O₃ Mono mass: 166.062994182
PHUB001286 Score: 0.727	Phloroglucinaldehyde 487-70-7 metabolite	C₇H₆O₄ Mono mass: 154.026608673