HMDB0029702 RDKit 3D Erythrosine 37 41 0 0 0 0 0 0 0 0999 V2000 2.6467 -0.7202 3.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -0.4902 2.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 -0.2073 1.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 -0.0234 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4226 -0.2212 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6229 -0.1608 -1.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8959 -0.3919 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9582 -0.6770 -1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7108 -0.7264 0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4283 -0.4970 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7776 -1.1130 0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3459 -2.4324 0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2211 -3.4506 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5722 -5.4502 0.5992 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5304 -3.2252 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 -4.3312 -0.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -1.9441 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9506 -1.5744 -0.7881 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0571 -0.8831 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5812 0.3887 -0.1918 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6927 1.4427 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 1.2916 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 2.3931 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0637 3.6456 0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 5.3001 0.7037 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 3.8519 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 5.1292 -0.1625 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1722 2.7598 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1762 3.0148 -0.7433 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 0.0548 -2.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1001 -0.3547 -3.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9529 -0.8575 -1.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 -0.9457 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 -2.5635 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3263 -4.2161 -0.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 2.2642 0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 5.9206 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 4 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 10 2 1 0 19 11 1 0 28 21 1 0 22 4 1 0 10 5 1 0 6 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 12 34 1 0 16 35 1 0 23 36 1 0 27 37 1 0 M END