HMDB0299628 RDKit 3D DG(i-18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 -17.5994 -2.0422 1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0326 -1.5219 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0809 -0.3895 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4443 0.2290 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6276 -0.7486 -1.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5692 -1.2981 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2715 -1.1805 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7767 -0.4425 -2.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9629 -1.3850 -3.0753 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.7159 -2.4608 -3.5138 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7529 -1.8255 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8654 -0.8890 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6442 -1.1936 -1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7757 -0.2261 -0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5553 -0.4958 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6982 0.4262 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9158 1.8535 -0.2687 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2317 2.2780 -0.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4041 2.2780 -1.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 2.1583 -1.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9683 2.9756 -1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7884 2.8978 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3111 3.7312 1.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0078 1.8798 0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 1.8087 2.2191 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3113 0.4702 2.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -0.5686 2.1499 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5437 2.1412 2.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 1.3637 2.2163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 1.2411 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 1.8235 -0.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 0.3214 0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3018 1.0977 1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6236 0.3481 1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -0.9613 1.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 -1.7140 1.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5731 -2.1112 0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 -1.0978 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2068 -0.2245 0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2907 -1.0622 1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2504 -0.2564 2.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9919 0.8105 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9027 0.3622 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9527 -0.5753 0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8189 -1.0625 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6281 -0.1310 -1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9585 0.9156 -1.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4983 -1.0086 -2.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3244 -1.2505 1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0709 -3.0159 1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8157 -2.0892 2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5048 -2.4043 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9052 -1.1855 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6588 0.3517 0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3278 -0.8162 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1713 0.7844 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7045 0.9868 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3495 -1.6101 -1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3499 -0.3888 -2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8674 -1.8695 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5535 -1.6403 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9930 0.2860 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4924 0.1669 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6313 -0.8565 -4.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0576 -2.3634 -4.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5684 -2.8533 -2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0472 0.1351 -2.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4712 -2.2233 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0470 0.7501 -1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3508 -1.5643 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 0.1306 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3281 2.4482 0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3586 2.1580 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6708 3.3874 -1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0361 1.8280 -2.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7151 1.0494 -1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7672 2.3582 -3.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 2.7455 -1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1444 4.0680 -1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5303 2.6161 2.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3859 0.3480 2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 0.3788 3.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 -1.4180 2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7733 3.2172 2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 2.2248 3.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9226 -0.5856 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2122 0.1146 -0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1702 1.3334 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4197 2.0075 0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4011 1.0267 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 0.1613 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8069 -1.6370 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -0.8332 2.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -1.1676 2.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5448 -2.6843 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2985 -2.9509 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8764 -2.6826 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9071 -1.6975 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5808 -0.4900 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 0.2700 1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5469 0.5512 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8672 -1.6135 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -1.8305 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9572 -0.9265 2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6441 0.2184 2.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2812 1.5969 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6525 1.3255 2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4226 1.2832 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2571 -0.0020 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6059 -0.1113 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5555 -1.4956 1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1844 -1.6499 -1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5166 -1.8840 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4078 0.3091 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0467 1.9356 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9306 0.6024 -2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4763 0.9310 -3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9383 -1.2597 -3.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7368 -1.9627 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3970 -0.4296 -2.4175 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 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 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 6 10 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 17 72 1 1 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 25 80 1 1 26 81 1 0 26 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END