HMDB0007120 RDKit 3D DG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 116115 0 0 0 0 0 0 0 0999 V2000 -11.5079 4.2612 -2.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2171 4.2156 -1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3771 3.3411 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5409 2.2754 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5943 1.7403 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2500 0.3291 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1102 -0.1742 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7948 0.3812 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5347 1.7979 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8303 2.4720 0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0805 1.8514 1.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6796 2.2474 1.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6588 1.5077 1.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4804 0.0687 1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5495 -0.8456 1.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9931 -1.8193 1.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5150 -2.2323 -0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1159 -3.6753 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0102 -4.0800 0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6221 -3.7225 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1511 -2.3394 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -2.4272 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9787 -3.1257 0.9115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -1.7839 -0.9183 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3183 -1.8615 -1.2098 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4051 -2.7254 -2.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2933 -2.1394 -3.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -0.5576 -1.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3381 -0.8375 -1.7893 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1976 -1.4142 -0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8204 -1.6902 0.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5949 -1.7228 -1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3261 -2.3544 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 -2.7778 -0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7003 -1.8158 -0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0870 -0.6873 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6029 -1.1192 1.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7230 -2.0478 1.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0144 -1.8417 0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9087 -0.7216 1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3444 0.6215 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3539 1.7138 1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7900 3.0416 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4822 3.1718 -0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9468 4.5834 -0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0522 5.5464 -0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2571 3.2136 -2.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5078 4.7631 -2.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1093 4.7880 -3.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4817 4.0029 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6070 5.2840 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1926 3.6090 -2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4703 1.6627 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1887 1.7548 1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7168 2.3139 0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1694 -0.3769 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1439 -1.3144 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3146 0.0652 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0621 -0.1505 0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9665 2.4534 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7345 3.5714 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3006 0.7906 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5122 2.3586 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4796 3.3749 1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 2.0470 1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0125 -0.2968 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6299 -0.1450 2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0702 -0.7661 2.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8337 -2.4249 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8053 -1.5656 -0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4378 -2.1465 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0412 -4.1386 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0518 -4.2036 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -3.8039 1.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0312 -5.2282 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 -4.2144 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 -4.2655 -0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5315 -1.7662 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2184 -1.7468 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7892 -2.4634 -0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 -3.7197 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -2.9556 -2.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2415 -2.6575 -4.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 0.0340 -0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -0.0180 -2.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 -0.8123 -1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -2.4435 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2374 -1.6214 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 -3.2190 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 -3.4341 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6049 -3.5496 -1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6464 -2.3750 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4007 -1.3751 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2509 0.0359 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8425 -0.0699 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6852 -0.2632 2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7051 -1.7029 1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3998 -3.1162 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9429 -2.2330 2.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6666 -2.7944 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9564 -1.8242 -0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2523 -0.7501 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8283 -0.8293 0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1271 0.6868 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4480 0.8642 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2638 1.5579 0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6088 1.6432 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8401 3.2499 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5136 3.8500 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3221 2.9289 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6203 2.5082 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8019 4.7341 -2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0368 4.6950 -0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0272 6.4908 -1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0238 5.0329 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0047 5.7882 0.5332 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 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 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 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 18 72 1 0 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 46115 1 0 46116 1 0 M END