HMDB0298281 RDKit 3D DG(18:3(10,12,15)-OH(9)/0:0/a-25:0) 136135 0 0 0 0 0 0 0 0999 V2000 21.5034 0.5716 -0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6977 1.3084 -1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3090 0.6945 -1.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8893 0.1821 -2.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6681 -0.4465 -3.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5227 -0.6873 -2.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2210 -0.4250 -0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8998 -0.8168 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5826 -0.5481 0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2974 -0.9040 1.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2738 -2.2406 1.8723 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1274 -0.6740 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9987 0.7600 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8593 1.0103 -0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5535 0.6065 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3554 0.8511 -1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1274 0.3690 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 1.0992 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6887 0.5579 1.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -0.5948 2.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5082 1.2246 1.7469 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4181 0.6311 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -0.6229 1.7277 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8655 -1.1988 2.4118 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 -0.3588 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5796 0.4724 0.0764 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 0.1867 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0431 -0.9114 0.8514 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7808 1.1895 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 0.5645 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3021 1.4053 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5318 1.8449 -1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6175 0.9181 -2.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5749 -0.1526 -2.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -1.3163 -1.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2465 -1.4284 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6332 -1.0328 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0567 0.3548 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4735 0.7038 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5738 0.1512 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8004 -1.2938 -0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0006 -2.1000 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1818 -1.7430 1.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4544 -1.9251 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7046 -1.6634 1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7908 -0.2861 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8143 0.8257 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9153 0.9677 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2812 1.2695 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8808 0.2599 1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1706 1.3154 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5731 1.6183 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7984 -0.1455 0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8790 1.2327 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2876 -0.0881 -0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5951 2.3536 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1659 1.2024 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7357 0.7296 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6512 0.2395 -3.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9013 -1.4532 -3.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3077 0.1710 -3.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6686 -1.2315 -2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8656 0.0713 -0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1713 -1.3339 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3682 -0.0165 1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2057 -0.2414 2.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -2.4974 2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1850 -1.0718 0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2904 -1.2823 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8645 1.4198 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9176 1.1346 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7914 2.0612 -1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9982 0.4268 -1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4343 1.2536 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5752 -0.4667 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2719 1.9271 -1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5138 0.2350 -1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1703 -0.7200 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 0.5272 -0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7165 0.9870 1.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 2.1842 0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 0.2937 3.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 1.3980 2.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -1.3842 1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -1.1293 3.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 -1.3126 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5756 0.1825 -0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7417 1.4662 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 2.1103 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0273 0.3691 1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1786 -0.4526 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1477 1.0171 0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0368 2.3926 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 2.7310 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 2.4158 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 1.5870 -3.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5702 0.4649 -2.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5409 0.3341 -2.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 -0.6382 -3.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3947 -2.1069 -2.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7595 -1.9066 -1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5587 -1.1305 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2232 -2.6052 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2929 -1.8081 -0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6789 -1.2197 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9632 0.6685 -1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4344 1.0772 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5171 1.8423 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6230 0.5983 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5629 0.6951 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4095 0.5372 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1507 -1.8079 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8277 -1.3596 -1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1398 -3.1763 0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0642 -2.1898 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1253 -0.6762 1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1966 -2.3133 2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5083 -2.9845 0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4354 -1.2097 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6010 -2.0536 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5765 -2.3505 2.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5775 -0.2763 2.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8360 -0.1432 2.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7930 0.9265 0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8275 1.7832 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6003 1.8074 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0048 0.0883 -0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3516 2.3061 1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9993 0.1721 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7068 0.6140 2.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4052 -0.7181 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0737 0.3670 -1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8149 2.1620 -1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0555 2.2346 -1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5668 2.0891 0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1926 0.6836 -0.2473 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 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 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 22 82 1 0 22 83 1 0 23 84 1 6 24 85 1 0 25 86 1 0 25 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 50129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 52136 1 0 M END