HMDB0006999 RDKit 3D CDP-DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 153154 0 0 0 0 0 0 0 0999 V2000 -9.3352 -1.3089 -2.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5427 -1.4679 -0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7313 -0.1517 -0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5392 0.7614 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2746 0.1239 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3801 -0.1692 1.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5319 0.3532 2.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4016 1.2630 2.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6461 2.5127 2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8426 3.0545 3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5646 2.4045 4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4321 3.3456 3.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6312 3.7098 4.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7142 3.2793 6.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4754 2.5232 6.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4864 1.2721 6.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6701 0.5203 7.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0892 -0.6770 6.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 -1.8616 6.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -1.7834 5.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 -1.4021 5.9415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0411 -2.1819 4.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2357 -2.1054 3.4296 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0224 -1.4309 2.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 -1.3240 1.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 -0.7679 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2454 -0.4216 -0.3239 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 -0.6660 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 -0.1598 -1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9726 1.1974 -2.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7639 2.1913 -1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1893 3.5924 -1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7672 3.6526 -0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 3.3573 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 4.2909 1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 4.0275 2.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2055 2.7296 2.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6796 2.8734 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4615 3.2731 1.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 3.4678 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7469 3.8484 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 2.8240 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6301 3.2889 -1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1665 4.5684 -1.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7555 -3.5534 3.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7934 -4.2371 2.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -5.8272 2.1838 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0707 -6.6769 2.3796 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 -6.4305 3.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 -5.9981 0.5704 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3193 -6.4149 -0.4035 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6756 -7.2465 0.3472 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 -7.2109 -1.7627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3636 -4.9279 -0.9019 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2684 -4.5829 -2.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1904 -3.2987 -2.6638 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5297 -3.0637 -3.8521 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 -1.8313 -4.2085 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4783 -1.3124 -5.4172 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -0.0391 -5.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 0.5254 -6.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5354 -0.2743 -7.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0795 0.2887 -8.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 -1.5528 -7.6647 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 -2.0720 -6.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 -3.2840 -6.4839 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5123 -2.1522 -4.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 -2.4718 -5.4592 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5974 -3.3274 -3.2196 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8983 -4.5086 -3.8542 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2534 -2.3573 -2.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2066 -0.8555 -2.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3663 -0.8321 -2.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4734 -2.0554 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7095 -2.0711 -0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5916 0.3579 -0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9885 -0.3659 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7389 1.6544 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4668 1.1192 -1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4539 0.7871 -0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 -0.8414 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1853 -0.8399 1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6497 0.1089 3.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2476 1.4944 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.6857 2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5791 3.0350 2.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0838 3.9865 4.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5671 1.9787 5.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3249 1.5319 3.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 3.6931 2.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 4.3831 4.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5934 2.7332 6.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 4.2747 6.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5097 2.9996 6.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5049 0.7979 6.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4577 0.0709 8.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5713 1.1440 7.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4506 -0.3879 5.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 -1.0297 6.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0036 -2.3001 7.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8122 -2.7219 5.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0278 -1.6378 4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 -0.4433 2.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3301 -2.0262 1.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 -1.6722 -0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 -0.0346 0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 -0.0630 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -0.9270 -2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 1.4672 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 1.1631 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7285 1.9252 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7995 2.2146 -1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2795 3.8862 -2.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7749 4.2854 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4143 4.6970 -1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1121 3.0115 -1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 2.2819 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2737 3.3669 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5676 5.3499 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 4.8583 3.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 1.9417 2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 2.3297 3.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1092 1.8959 3.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 3.5789 4.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4983 2.3830 1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 4.1206 1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0106 4.3210 3.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2782 2.5345 2.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8192 3.9763 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 4.8163 0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7623 2.5957 -0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2265 1.8678 0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6979 3.3235 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 2.4793 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1739 4.8708 -1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8856 5.4006 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0346 4.4524 -2.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8795 -3.9948 4.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 -3.4198 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0253 -6.5823 4.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -6.9367 -1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3684 -4.4938 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -5.4085 -2.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 -2.4233 -2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1821 -1.1656 -3.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 0.5807 -4.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6953 1.5581 -6.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 0.3075 -9.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 0.7104 -9.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0585 -1.2703 -3.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9033 -2.1467 -5.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3555 -3.0526 -2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 -4.3834 -4.2829 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 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 62 64 2 0 64 65 1 0 65 66 2 0 58 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 69 56 1 0 65 59 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 3 77 1 0 4 78 1 0 4 79 1 0 5 80 1 0 5 81 1 0 6 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 11 89 1 0 12 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 18 98 1 0 18 99 1 0 19100 1 0 19101 1 0 23102 1 1 24103 1 0 24104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 44135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 49140 1 0 53141 1 0 55142 1 0 55143 1 0 56144 1 1 58145 1 1 60146 1 0 61147 1 0 63148 1 0 63149 1 0 67150 1 0 68151 1 0 69152 1 1 70153 1 0 M END