HMDB0033383 RDKit 3D C.I. Food Red 1 45 47 0 0 0 0 0 0 0 0999 V2000 1.6706 -2.8298 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 -1.6635 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 -1.8798 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8232 -0.8217 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2902 -1.0652 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 0.4728 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5189 1.7891 0.0182 S 0 0 0 0 0 6 0 0 0 0 0 0 6.5664 1.6069 1.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1836 1.7444 -1.3261 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 3.2532 0.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 0.7178 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 -0.3577 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7496 -0.1397 0.4011 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0771 -0.1686 -0.5565 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 0.0629 -0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -0.9696 -0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7308 -0.8070 -0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8796 -2.0944 -0.6477 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.5658 -2.5278 0.6146 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1089 -3.2795 -1.1581 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0077 -1.6634 -1.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 0.4324 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5055 0.6280 0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9436 1.8584 0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 2.8950 0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7085 2.7102 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2615 1.4646 0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9076 1.2875 0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 2.3382 0.3567 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6479 -2.5195 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -3.3436 -0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0117 -3.5537 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3303 -2.8837 -0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 -0.7113 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4424 -2.1683 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -0.5340 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 3.9854 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6842 1.7492 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0378 -1.9263 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4069 -2.4345 -2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1844 -0.1809 0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0157 1.9627 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4351 3.8601 1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 3.5245 0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 2.1803 0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 7 9 2 0 7 10 1 0 6 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 2 0 18 21 1 0 17 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 12 2 1 0 28 15 1 0 27 22 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 5 34 1 0 5 35 1 0 5 36 1 0 10 37 1 0 11 38 1 0 16 39 1 0 21 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 26 44 1 0 29 45 1 0 M END