HMDB0007033 RDKit 3D DG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 110109 0 0 0 0 0 0 0 0999 V2000 -14.5268 0.0991 -0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7647 -1.1635 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3548 -1.0002 -2.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1543 -1.0187 -2.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8725 -1.2004 -1.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7557 -1.4698 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1845 -0.7174 0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5493 0.5735 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2194 1.6141 0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6091 2.3536 1.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2019 2.2199 1.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1173 1.9000 3.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5978 0.8268 3.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0008 -0.2590 3.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5838 -0.4840 3.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5353 -0.3965 2.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6272 -0.0340 1.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0877 -1.1716 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 -1.4950 0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -0.4132 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5586 0.0440 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 1.1232 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9031 2.3119 -1.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8005 0.8428 -1.0322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 1.7731 -1.1672 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5464 1.9819 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0895 0.8011 0.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 1.4142 -2.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 0.2003 -1.9027 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -0.3227 -2.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 0.3802 -3.7803 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2014 -1.5648 -2.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 -1.7271 -1.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0935 -0.8269 -0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7497 0.5880 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7528 1.6154 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5819 1.6763 0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 0.5567 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5036 0.3870 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4295 -0.7614 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2352 -0.5627 1.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1900 -1.7270 1.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1538 -1.8590 0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9718 -0.5848 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9498 1.0114 -0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8773 -0.0060 0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4278 0.1496 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0862 -1.4890 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5941 -1.9522 -0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2115 -0.8436 -2.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0927 -0.8636 -3.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4023 -2.1021 -2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1459 -0.3962 -2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1416 -2.4400 -0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1304 -0.9954 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4714 0.4295 0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6318 0.8657 -1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2772 1.7679 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1574 3.1427 2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5348 1.6709 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7899 3.2903 1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5280 2.6309 4.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5706 0.6567 4.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5812 -1.1950 3.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1744 -0.1658 2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 -0.7715 4.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5096 -0.6004 3.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0403 0.8988 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6563 0.1409 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2473 -0.8595 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7104 -2.0526 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 -1.8561 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 -2.3976 0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6727 -0.8256 0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 0.4202 1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2155 -0.7931 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5413 0.4545 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 2.7621 -1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8313 2.4302 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3481 2.7299 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4802 0.2876 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 2.2314 -2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 1.2824 -3.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4956 -2.4479 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9301 -1.7087 -3.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2631 -1.7699 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3944 -2.7744 -1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8777 -1.0234 -1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5700 -1.2725 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8828 0.6392 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2677 0.9061 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 2.6291 -0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4184 1.6745 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2476 2.6137 0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0028 1.9067 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1217 -0.3992 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1574 0.8581 1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1149 1.3226 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9822 0.2208 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0952 -0.8424 -0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7792 -1.6786 0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8319 0.3458 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5634 -0.4931 2.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7789 -1.4667 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6526 -2.6940 1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8588 -2.6966 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6660 -2.1067 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7913 -0.8132 -0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3035 0.2001 -0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3565 -0.3017 1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 25 78 1 6 26 79 1 0 26 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END