HMDB0001976 RDKit 3D Docosapentaenoic acid (22n-6) 58 57 0 0 0 0 0 0 0 0999 V2000 -8.2918 -3.2237 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0284 -1.9183 -0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5194 -1.6437 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3168 -0.3427 -1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8419 0.0531 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 0.2324 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 1.3481 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6624 2.5571 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4742 3.2612 -0.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 2.9975 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 1.7630 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 2.1095 1.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2283 1.7213 1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9714 0.9152 0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -0.3632 0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 -0.6364 0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 0.2215 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6959 0.6492 1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 0.4288 1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6567 -0.2846 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3009 -1.5338 0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0076 -2.3286 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4334 -3.1133 -0.8524 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4034 -2.2238 -0.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5008 -3.5167 0.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2872 -4.0068 -0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2790 -3.1681 0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5558 -1.0673 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3621 -1.9101 -1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1358 -1.6520 0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0175 -2.4832 -1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9486 0.4675 -1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6063 -0.4888 -2.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7069 0.8042 -2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 -0.8819 -2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2544 -0.6412 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3632 1.3241 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3548 2.4696 -1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2704 3.3844 0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6579 4.2303 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4635 3.6813 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 1.3094 -0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 0.9605 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 2.7057 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7219 2.0326 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 0.7385 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 1.5783 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7774 -1.0566 1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0633 -1.5746 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 1.0921 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3081 -0.5024 -0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2879 1.2004 2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 0.7845 2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1082 -0.4995 -0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5098 0.4196 0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 -2.1685 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0213 -1.1748 1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8677 -1.3265 -0.0295 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 21 57 1 0 24 58 1 0 M END