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Mrv2104 06072104223D

27 28  0  0  0  0            999 V2000
   -2.7075   -0.4414   -0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3934    1.1778   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6659   -1.4426   -0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3594    0.1898   -0.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8731   -0.1618    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5073    1.0251    0.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0087    1.9166   -1.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3875   -1.9990    1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512   -0.1066   -0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0474    0.8826   -0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0996   -0.8225    0.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0089   -1.1283   -0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948    2.5108    0.2365 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6012   -2.6978    0.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923   -0.8186   -0.8232 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4753    3.1870    1.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9044   -4.0170    1.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3611    0.0312   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6923    1.5872    1.0387 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3806   -2.1041   -0.2373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9791   -2.1410   -0.4674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5437    2.9151    2.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    4.1394    0.6189 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0495   -4.6602    0.7357 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1230   -4.5489    1.9324 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2662   -0.3982    0.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4003    1.3412   -0.8444 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
 13  7  1  6  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 12 21  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  2  0  0  0  0
 15 18  1  1  0  0  0
 15 20  1  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  2  0  0  0  0
 18 26  2  0  0  0  0
 18 27  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 — 3 of approximately 3 results

PHUB000443 Score: 1.0	tyrosine-betaxanthin precursor	C₁₈H₁₈N₂O₇ Mono mass: 374.111400928
PHUB000433 Score: 0.751	Glutamic acid-betaxanthin 1047-87-6 precursor	C₁₄H₁₆N₂O₈ Mono mass: 340.090665483
PHUB001472 Score: 0.711	Dopa-betaxanthin 71199-31-0 precursor	C₁₈H₁₈N₂O₈ Mono mass: 390.106315548