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Mrv2104 06072104223D

24 24  0  0  0  0            999 V2000
    2.5189   -1.4152    0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242   -2.7683    0.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1212    0.2893   -1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1402   -1.0287   -0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791    2.4001   -0.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020    0.3867    0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653    1.0875   -0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662   -1.4855   -1.1421 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2631    3.2140   -0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655    1.2796    0.5498 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5754   -2.6694    2.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2315   -2.4623   -1.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1675    4.6868   -0.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7226    1.0968    2.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9085   -1.8660   -1.4486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2505    2.6527    0.3525 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660   -3.6849    3.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9298   -1.4690    3.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7836   -3.4244   -2.3899 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5841   -2.3034   -1.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0399    5.2143   -0.9265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1169    5.3650    0.1094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375   -0.0894    2.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7228    2.1384    2.9213 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  8  1  1  1  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  2  0  0  0  0
 10 14  1  1  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  2  0  0  0  0
 14 23  2  0  0  0  0
 14 24  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 — 2 of approximately 2 results

PHUB000433 Score: 1.0		Glutamic acid-betaxanthin 1047-87-6 precursor	C₁₄H₁₆N₂O₈ Mono mass: 340.090665483
PHUB000443 Score: 0.751		tyrosine-betaxanthin precursor	C₁₈H₁₈N₂O₇ Mono mass: 374.111400928