HMDB0254612 RDKit 3D Methyl retinoate 53 53 0 0 0 0 0 0 0 0999 V2000 2.0045 1.6367 -8.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5549 0.9592 -7.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 -0.3117 -7.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 -1.0680 -8.3429 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7195 -0.9433 -6.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -0.2145 -4.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2033 1.1696 -5.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3514 -0.9000 -3.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 -0.3463 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0731 -1.0741 -1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 -0.4053 -0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 0.9788 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4636 -1.2116 0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6038 -0.9260 2.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 -0.6607 3.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1166 -1.6314 4.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3579 -2.9779 3.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2818 -1.4385 5.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3435 -0.0743 6.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2011 1.0174 5.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5362 0.6974 4.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 1.6915 3.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9689 0.8938 4.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 1.2898 -8.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2783 1.5376 -9.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 2.7257 -8.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3841 -1.9400 -6.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2974 1.2013 -5.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 1.6341 -3.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 1.8507 -5.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 -1.9415 -3.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5869 0.6859 -2.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3526 -2.0908 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 1.6235 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6791 1.4007 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.1552 -0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7381 -2.2763 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 0.2936 1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4598 -3.7787 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 -2.9621 3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5807 -3.2216 3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 -2.0634 6.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2386 -2.0022 6.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4723 0.0169 7.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2293 0.0080 7.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 1.9186 5.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2717 1.3373 5.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 2.3422 3.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2266 2.3703 2.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6147 1.2090 2.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 1.5467 3.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 1.3747 5.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4439 -0.1063 4.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 3 6 7 1 0 6 8 1 0 8 9 2 3 9 10 1 0 10 11 2 3 11 12 1 0 11 13 1 0 13 14 2 3 14 15 1 0 15 16 2 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 21 15 1 0 1 24 1 0 1 25 1 0 1 26 1 0 5 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 22 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 23 53 1 0 M END