HMDB0012868 RDKit 3D 9'-Carboxy-gamma-chromanol 63 64 0 0 0 0 0 0 0 0999 V2000 -7.5220 0.8518 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1641 0.2460 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8742 -0.5826 1.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8355 -0.8401 2.8842 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6227 -1.1536 1.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6484 -0.9195 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9498 -0.0904 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2106 0.4853 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5216 1.3776 -1.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0387 0.1967 -1.0735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6477 -0.0502 -0.7038 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3629 0.9990 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 0.1954 -1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5727 0.0005 -1.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 0.8135 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9107 0.5235 -1.2399 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2446 0.8481 -2.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 -0.8300 -0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7329 -1.1822 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 -0.4620 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7454 -0.5856 1.3378 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4889 -0.1152 1.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8694 0.2450 1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5963 0.8791 1.1188 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1242 0.3311 3.2654 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5946 -1.4501 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2993 -1.5687 1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7190 1.3995 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2781 0.0173 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6929 1.4442 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7303 -0.3885 2.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3797 -1.8159 2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 0.8519 -1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9985 2.2909 -0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6032 1.6003 -1.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3233 1.4933 0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7938 0.6331 1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 1.8360 -0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 -0.3091 -2.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 1.2976 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 -1.0888 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9195 0.1202 -3.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 1.9064 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1657 0.5719 0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4267 1.2908 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 1.1000 -2.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7106 1.7906 -2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 0.0935 -3.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -1.1137 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -1.5505 -1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1041 -1.2610 -1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8051 -2.2715 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8345 0.6244 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 -0.8674 -0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0025 -1.6385 1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8789 -0.9997 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 0.6274 1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7319 0.3851 2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0463 0.2026 3.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5702 -1.8773 -0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 -2.0821 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4227 -2.6399 1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -0.9977 1.8735 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 1 1 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 2 0 23 25 1 0 11 26 1 0 26 27 1 0 8 2 1 0 27 6 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 5 32 1 0 9 33 1 0 9 34 1 0 9 35 1 0 12 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 1 17 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 55 1 6 22 56 1 0 22 57 1 0 22 58 1 0 25 59 1 0 26 60 1 0 26 61 1 0 27 62 1 0 27 63 1 0 M END