HMDB0294637 RDKit 3D DG(12:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0) 101100 0 0 0 0 0 0 0 0999 V2000 -15.1209 1.9642 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8836 1.0568 -1.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7164 0.4989 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5107 -0.4120 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2351 0.3081 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0648 -0.6110 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8438 -1.2098 1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6023 -0.2057 2.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3988 0.6496 2.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1506 -0.1675 2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9125 0.6683 1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7464 -0.2458 1.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9276 -1.4650 1.9993 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5039 0.2194 1.6119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2686 -0.3806 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 -1.2020 0.2722 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8656 -2.4160 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7601 -3.3211 1.0862 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -1.6817 0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2907 -1.3605 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 -0.6208 -1.5347 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 -1.8779 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6424 -0.8391 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 0.2658 -1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 -0.2532 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0916 0.0666 -3.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1288 0.9839 -2.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4686 0.3360 -2.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2365 0.1679 -1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8508 0.6235 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 -0.4716 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5425 -0.4756 1.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4844 0.5807 2.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8339 -0.0049 2.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9091 0.3548 1.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9793 1.3837 0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5191 0.7598 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7041 -0.2860 -0.9754 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9208 0.3014 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4356 -0.3163 -1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3991 0.6887 -2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1470 2.3520 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0070 2.8017 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9911 1.3162 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0061 1.5937 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0989 0.2132 -1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6269 1.3304 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6395 -0.0744 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6337 -1.2381 -0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4694 -0.9269 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2982 0.6683 -1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1377 1.2084 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2837 -1.4741 -0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1457 -0.1442 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9591 -1.8898 1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7284 -1.8164 1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5210 0.4105 2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4617 -0.7826 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3026 1.4291 2.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4914 1.2039 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1700 -0.9372 1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9988 -0.6882 3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8061 1.4499 2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 1.2092 0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0581 -1.0413 2.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4674 0.4131 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0506 -0.5694 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 -2.1620 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 -2.9874 -0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1452 -2.9915 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6609 -2.6172 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 -2.4557 -1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3239 -0.3706 0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 -1.2750 0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7217 0.7730 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 1.0735 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3063 -0.9740 -2.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 -0.3632 -4.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9236 1.6357 -1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2438 1.7309 -3.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8556 -0.0494 -3.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1767 -0.3288 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7488 0.9453 -0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 1.5256 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -1.3495 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 -1.3340 2.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4807 1.3897 1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1095 0.9964 3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9721 -0.8071 3.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8682 -0.1629 2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7212 2.1459 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0323 1.8554 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4802 1.5689 -1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6062 -0.4108 -1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9545 -0.4575 0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5770 1.1588 -0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4897 -0.6284 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7861 -1.1696 -1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1089 0.3602 -3.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3716 0.6754 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7048 1.6783 -2.4445 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 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 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 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 6 54 1 0 7 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 10 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 15 65 1 0 15 66 1 0 16 67 1 6 17 68 1 0 17 69 1 0 18 70 1 0 22 71 1 0 22 72 1 0 23 73 1 0 23 74 1 0 24 75 1 0 24 76 1 0 25 77 1 0 26 78 1 0 27 79 1 0 27 80 1 0 28 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 M END