HMDB0061665 RDKit 3D 15-hydroxyicosanoic acid 63 62 0 0 0 0 0 0 0 0999 V2000 -8.3076 -0.6197 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2713 -1.3960 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0536 -1.7059 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -0.4395 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9352 0.4693 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 -0.1103 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 0.7604 2.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7284 -0.5776 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 0.5249 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6112 1.6356 0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9703 2.6698 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1626 2.1495 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 1.6063 -0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 1.1226 -1.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 0.5681 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5451 0.0964 -1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7613 -0.4531 -0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3515 -1.5865 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4663 -2.2410 0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2114 -1.3744 1.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9432 -0.2379 1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9078 0.8744 1.7174 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6989 -0.3154 -0.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1883 0.4781 -0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2575 -0.9244 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3384 -0.8661 0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0034 -0.8580 1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7438 -2.3560 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4563 -2.2766 -1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -2.3669 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1585 0.0868 -1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5836 -0.7000 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6053 1.4397 -0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8208 0.7214 0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3237 -0.9810 1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 1.2516 2.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 -1.3780 -0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 -1.0780 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8873 0.9930 -1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 0.1345 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0134 1.3680 1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 2.1963 0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7714 3.0042 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 3.5425 0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 3.0421 -1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1713 1.4687 -2.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0498 0.7357 0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7225 2.4016 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6739 1.8934 -2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 0.2594 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 -0.3363 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9132 1.2917 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1725 -0.7321 -2.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 0.8957 -2.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 -0.6949 -1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 0.4206 -0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7666 -2.3635 -0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6329 -1.1801 0.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1734 -2.7241 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 -3.0987 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4551 -0.9809 2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9618 -1.9947 2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2638 -1.1550 -0.1438 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 6 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 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 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 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 23 63 1 0 M END