HMDB0034297 RDKit 3D Ricinoleic acid 55 54 0 0 0 0 0 0 0 0999 V2000 -7.5887 0.8820 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1234 0.3081 0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8339 -0.0321 1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6053 -0.6884 2.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2874 -0.0837 2.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -0.0093 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 0.5958 0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 -0.2012 1.1703 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 0.6464 -0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3141 -0.7040 -1.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -1.2365 -2.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0041 -0.5834 -2.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 -1.3440 -1.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4035 -0.5456 -1.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6085 -1.2107 -1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8466 -0.4004 -1.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7382 0.9914 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5285 1.0357 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 0.4149 1.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6553 -0.1007 0.8624 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5044 0.3879 2.7293 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6046 1.8517 1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1806 0.1419 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8405 0.9294 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0869 -0.4556 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5642 1.2148 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7337 -0.6616 2.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0384 0.9254 2.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6899 -1.0692 3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5748 -1.6883 1.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2582 0.9480 2.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 -0.6996 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6045 0.5371 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 -1.0906 0.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 1.6084 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 -1.1183 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 1.2440 -1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 1.2663 -1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -1.2566 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -2.2678 -2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 -0.6398 -3.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 0.4533 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2113 -2.3794 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9568 -1.3762 -0.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 -0.3989 -2.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 0.4312 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -2.1985 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 -1.3750 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 -0.9107 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9113 -0.3145 -2.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7095 1.5338 -1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9498 1.5860 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 2.0769 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5887 0.5052 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 -0.5220 3.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 21 55 1 0 M END