HMDB0062549 RDKit 3D 2-Hydroxystearic acid 57 56 0 0 0 0 0 0 0 0999 V2000 8.0676 2.3804 1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6514 0.9251 1.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3314 0.7949 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 -0.6003 0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 -0.6794 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4865 0.2125 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 0.1243 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6192 -1.2616 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3434 -1.3043 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6647 -0.3867 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 -0.4047 -1.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -1.7652 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9262 -1.6831 -2.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9159 -0.7043 -1.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2667 -1.0792 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2741 -0.1393 0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7673 1.2786 0.5820 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6158 1.4178 1.3125 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8236 2.1389 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5725 2.8403 2.1754 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1030 2.2040 0.6322 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 2.9826 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3440 2.5670 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8689 2.6422 1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4211 0.2393 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4234 0.6818 2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 1.1143 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6356 1.4685 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 -1.3358 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6039 -0.8691 1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 -0.3170 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2127 -1.7396 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2488 -0.0740 1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 1.2816 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3257 0.4291 -1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4426 0.8099 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4088 -1.5327 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -2.0314 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -2.3586 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 -1.0271 -2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -0.5083 0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2949 0.6730 -0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6505 0.2820 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -0.0066 -2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8468 -2.1505 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 -2.5400 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6619 -1.3545 -3.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3843 -2.6952 -2.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8432 -0.6883 -2.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4885 0.3146 -1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3554 -1.1556 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7332 -2.0848 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4346 -0.4903 1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2243 -0.1811 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6407 1.6145 -0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2509 2.3273 1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7049 1.4040 0.6545 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 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 17 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 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 6 18 56 1 0 21 57 1 0 M END