HMDB0294514 RDKit 3D DG(18:1(12Z)-2OH(9,10)/10:0/0:0) 96 95 0 0 0 0 0 0 0 0999 V2000 13.5994 0.9372 0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4228 0.5037 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9673 0.6171 -1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1530 -0.2696 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6794 -0.1786 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8463 -1.0326 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9119 -0.5356 1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5668 0.8593 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1414 1.1892 0.7642 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9058 0.8201 -0.5491 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 0.6650 1.6963 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0827 -0.7399 1.6031 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7791 1.2958 1.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1804 1.1038 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 1.7904 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8435 1.2820 1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 -0.2010 0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3802 -0.7774 1.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -2.2273 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1887 -2.4362 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5877 -3.6099 -0.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3454 -1.4688 -0.8324 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 -1.6844 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 -2.0918 -2.0428 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8003 -2.3436 -3.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6311 -1.1409 -4.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1324 -1.0948 -1.4199 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8746 -1.2657 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8568 -2.4051 0.2717 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6259 -0.1358 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0744 -0.0742 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7274 -1.3322 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1118 -1.6319 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2557 -0.8296 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3758 0.5863 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6938 1.1957 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7472 2.6300 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0014 3.3076 0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7333 0.0174 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5105 1.5694 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7627 1.4988 1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9796 1.2526 -1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7926 -0.5159 -0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6711 1.6713 -1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8519 0.2580 -2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3668 0.0260 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4541 -1.3317 -0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3218 0.8133 -0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6410 -0.7159 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0437 -2.1398 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 -1.2635 1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7020 1.2050 2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2104 1.5405 0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1101 2.3240 0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7036 0.6906 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 0.8794 2.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 -1.0009 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 2.3985 1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0439 0.9260 2.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7954 1.5617 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0669 0.0427 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9577 2.8996 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4163 1.5242 -0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1093 1.4015 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 1.8566 0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 -0.6995 1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4123 -0.2985 -0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 -0.1981 1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -0.6849 2.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 -2.7453 1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2924 -2.6884 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8594 -0.7274 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -2.4087 -2.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4319 -3.0397 -1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1952 -3.1636 -3.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8603 -2.6479 -3.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -0.5226 -3.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1127 0.8188 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6368 -0.1813 1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4781 0.8535 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9567 -0.0454 -1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5923 -1.5206 1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0714 -2.1700 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2962 -2.7311 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2124 -1.7384 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1863 -1.3545 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4577 -0.8960 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5707 1.2578 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4926 0.6872 -1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6640 1.1855 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5388 0.5890 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7312 2.6684 -1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8826 3.1930 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9210 3.5756 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1982 4.2731 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9193 2.6943 0.1889 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 1 0 9 11 1 0 11 12 1 0 11 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 2 0 28 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 1 0 36 37 1 0 37 38 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 7 51 1 0 8 52 1 0 8 53 1 0 9 54 1 6 10 55 1 0 11 56 1 1 12 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 23 72 1 0 23 73 1 0 24 74 1 1 25 75 1 0 25 76 1 0 26 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 38 96 1 0 M END