Chemical Structure Search

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Mrv2104 06072104303D

18 21  0  0  0  0            999 V2000
   -4.1083   -0.4995    0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8435    0.9622    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0216    1.0435    0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9315   -1.1160   -0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262    1.2347   -0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2630   -0.3454    0.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242    1.4367    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.7705   -1.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2238    1.2217    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6680   -1.5554    0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4936    0.5394   -0.9899 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4916   -1.4644   -0.0654 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6259   -0.6863    0.5831 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9008    0.0901   -0.6110 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9460   -0.8609    1.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4823    0.7148    0.4738 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.8095   -0.7751    0.5159 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9082   -1.3366    2.5253 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
 13  4  1  6  0  0  0
 14  5  1  1  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11  9  1  1  0  0  0
  9 16  1  0  0  0  0
 12 10  1  1  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  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 — 3 of approximately 3 results

PHUB001465 Score: 1.0	lupanine 550-90-3 precursor	C₁₅H₂₄N₂O Mono mass: 248.188863401
PHUB001464 Score: 0.835	13-Hydroxylupanine 15358-48-2 precursor	C₁₅H₂₄N₂O₂ Mono mass: 264.183778021
PHUB001469 Score: 0.711	Sparteine 90-39-1 precursor	C₁₅H₂₆N₂ Mono mass: 234.209598845