HMDB0037396 RDKit 3D xi-10-Hydroxyoctadecanoic acid 57 56 0 0 0 0 0 0 0 0999 V2000 -8.3400 0.9328 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9497 0.6286 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9698 0.4783 -0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 0.1867 -0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5344 -1.0880 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 -1.4647 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5602 -0.4361 1.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 -0.7390 2.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 -0.9197 1.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3207 -1.9672 0.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3083 0.3113 0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 -0.0886 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9003 1.1269 -1.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 0.7910 -2.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2268 0.2553 -1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7664 1.2393 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9423 0.6732 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 0.3183 -0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2107 -0.2291 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1626 -0.3405 1.4726 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3399 -0.6118 -0.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5103 0.2987 -1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3981 2.0075 -0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0513 0.6991 0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6552 1.5150 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0374 -0.2269 0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0265 1.3613 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3419 -0.3936 -1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9388 0.1611 -1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2066 1.0661 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8199 -1.9073 -0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2714 -1.1178 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2324 -2.4074 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 -1.6401 -0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2447 -0.3952 2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6259 0.6109 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -1.6987 2.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9621 0.0270 3.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7995 -1.2322 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5378 -2.7610 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4786 0.7768 -0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7344 1.0848 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 -0.9162 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3072 -0.4278 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 1.9123 -0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0199 1.5083 -1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 0.0390 -2.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3652 1.7521 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0255 0.0582 -2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 -0.7027 -0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9736 1.4394 0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 2.1899 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5798 -0.2441 0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3456 1.3611 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7663 -0.4582 -1.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4301 1.1954 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0159 0.0347 -0.8294 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 1 0 9 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 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 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 17 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 21 57 1 0 M END