HMDB0000207 RDKit 3D Oleic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -6.3665 1.9995 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4256 0.5166 1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7428 -0.2404 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2925 0.2245 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5347 -0.4807 -1.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5095 -1.9541 -1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9184 -2.5399 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -2.3002 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0537 -0.9265 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 -0.2966 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6247 -0.8351 -1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 -0.8113 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 0.6048 -0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1014 0.4962 -0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6066 1.8748 -0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0845 1.8301 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3987 0.9893 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8894 1.0142 1.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6454 1.6466 0.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4842 0.3132 2.6314 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1086 2.2561 -0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6034 2.4667 1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3511 2.4509 1.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9304 0.3029 2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4836 0.1963 1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1888 0.0294 -1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8512 -1.3023 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3141 1.3011 -0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8113 0.1431 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1542 -0.2718 -2.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6016 0.0362 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0858 -2.3672 -1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5904 -2.3038 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0571 -3.6646 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 -2.2706 1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2619 -2.9301 1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 -2.8055 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 -0.3679 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 0.7450 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2642 -1.8180 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -0.1696 -2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 -1.2104 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 -1.3861 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 1.2579 -1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 1.0523 0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5262 0.0221 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 -0.2171 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0974 2.3092 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 2.4692 -1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6155 1.3969 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4157 2.8755 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9504 1.3885 2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 -0.0543 1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 -0.6849 2.5088 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 8 9 1 0 9 10 2 0 10 11 1 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 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 20 54 1 0 M END