Chemical Structure Search

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Mrv2104 12142209452D

19 20  0  0  0  0            999 V2000
   15.5738  -14.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2849  -13.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773  -14.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8525  -13.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9960  -14.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2849  -12.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8627  -15.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2952  -15.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1413  -14.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8491  -12.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7106  -13.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9960  -14.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1448  -14.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4285  -14.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7106  -15.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4337  -15.3287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4285  -14.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1397  -13.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1397  -15.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
  9 13  2  0  0  0  0
 15 17  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

PHUB002545 Score: 1.0	Maclurin 519-34-6 precursor	C₁₃H₁₀O₆ Mono mass: 262.047738042
PHUB002546 Score: 0.857	Iriflophenone 52591-10-3 precursor	C₁₃H₁₀O₅ Mono mass: 246.052823422
PHUB002551 Score: 0.701	Emodin 518-82-1 precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422