Chemical Structure Search

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16-dJ1-phytoprostane
  Mrv2104 06072104202D

21 21  0  0  1  0            999 V2000
    7.6307    4.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2966    4.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2173   -1.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4308   -2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7364   -0.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4408    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9600    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934   -1.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6644    1.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011   -2.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1836    2.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8879    2.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -3.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1004   -3.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4071    3.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7416   -3.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5118   -3.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1115    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9809   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6166   -2.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5242   -3.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 18  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
  8 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20  4  1  0  0  0  0
  4  3  1  0  0  0  0
 20 21  2  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

PHUB000205 Score: 1.0	16-dJ1-phytoprostane precursor	C₁₈H₂₆O₃ Mono mass: 290.188194697
PHUB000213 Score: 0.988	9-dJ1-phytoprostane precursor	C₁₈H₂₆O₃ Mono mass: 290.188194697
PHUB000204 Score: 0.701	16-B1-phytoprostane precursor	C₁₈H₂₈O₄ Mono mass: 308.198759382
PHUB000040 Score: 0.7	Damascenone-beta precursor	C₁₃H₁₈O Mono mass: 190.1357652