HMDB0029683 RDKit 3D 2-Hydroxy-6-pentadecylbenzoic acid 61 61 0 0 0 0 0 0 0 0999 V2000 -8.9586 -1.6461 -0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9041 -0.1252 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6919 0.3446 0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4902 -0.2430 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 0.0990 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9217 1.5820 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5977 1.9141 0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4626 1.2675 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 1.5787 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1102 0.8410 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 1.0409 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 0.2792 -0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 0.3723 -0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9699 -0.1594 0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3737 -0.2199 1.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2677 -1.0596 0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 -2.4455 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9962 -3.3329 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6905 -2.8538 -0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6885 -1.5199 -1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3960 -1.0675 -2.3934 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9684 -0.6195 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0766 0.7945 -0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8072 1.1249 -1.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4675 1.8237 -0.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3708 -2.0660 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4925 -2.0422 -1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9821 -2.0373 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8554 0.2830 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7909 0.2635 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6694 1.4256 0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8098 -0.1358 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5617 -1.3564 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4134 0.0640 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4051 -0.4632 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 -0.3302 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0223 2.0667 -0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7092 2.0215 0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 1.5997 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4339 3.0116 0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 1.6431 -0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 0.1683 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0254 1.2194 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 2.6535 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2298 1.1582 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 -0.2554 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3824 0.5641 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6087 2.0911 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 0.7316 -1.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 -0.7774 -0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 1.4822 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2064 -0.1149 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -1.2102 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 0.4206 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3393 -0.6954 2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8075 0.7610 1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 -2.7636 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0121 -4.3875 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 -3.5717 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9211 -1.6730 -2.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0051 2.4814 0.4095 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 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 22 16 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 17 57 1 0 18 58 1 0 19 59 1 0 21 60 1 0 25 61 1 0 M END