HMDB0056247 RDKit 3D DG(20:3n9/0:0/20:4n3) 118117 0 0 0 0 0 0 0 0999 V2000 -16.6574 -2.5260 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5696 -0.9969 0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3827 -0.7685 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3780 -0.0367 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2800 0.6675 1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1623 2.1337 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1462 2.8365 1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9841 2.2801 2.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7898 2.5288 1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9894 1.6401 0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2064 0.1704 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0040 -0.3499 1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3202 -1.3470 1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6459 -2.0322 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6707 -2.0467 -1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2249 -0.7855 -1.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4292 0.1103 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1871 -0.6488 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 0.1458 0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0661 -0.7800 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9617 -1.4778 1.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 -0.8404 -0.3489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9315 -1.5811 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0688 -1.2707 0.6254 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4162 -1.4760 1.8994 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 0.0535 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 0.3519 -0.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -0.4143 -1.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -1.4695 -1.0273 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0260 -2.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5142 0.9285 -3.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8689 0.5008 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1864 0.3117 -1.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 1.0617 -0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9094 2.0465 -1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3400 1.9241 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1218 0.9565 -1.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7946 -0.2270 -0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3906 -0.4539 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2099 0.3074 1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7941 1.5968 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3162 1.5451 0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8169 0.6061 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3182 0.5434 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8901 0.0519 0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4098 -0.0341 0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8512 -0.5802 2.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2520 -1.9541 2.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6938 -2.9082 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4193 -2.7042 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8611 -2.9627 -0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6303 -0.4801 1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5174 -0.6869 -0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4028 -1.2788 -1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5338 0.0620 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2070 0.5375 1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4750 0.2493 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0218 2.6034 0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1290 3.9206 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0908 1.3175 2.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7870 2.9795 2.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5986 3.5964 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1544 1.9689 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1364 -0.0428 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3224 -0.2486 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6607 0.0919 2.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4087 -1.7117 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7006 -1.9425 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6714 -3.1659 0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7902 -2.6753 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1609 -2.6831 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5149 -1.0263 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0397 -0.2108 -2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1096 1.0364 -1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9972 0.4113 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6338 -1.0479 -1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4884 -1.5338 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 1.0232 -0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7186 0.4564 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4858 -1.3406 -1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -2.6900 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9036 -2.0687 0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -1.5545 2.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5593 0.1645 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 0.8467 0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 -0.9030 -3.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4446 0.5240 -3.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 1.2412 -4.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2428 1.9293 -2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9298 -0.5968 -3.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6747 1.0111 -3.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7044 -0.4104 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3462 0.8782 0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 2.4471 -2.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8471 3.0198 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8014 2.7793 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2011 1.0788 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3142 -1.1069 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7559 -0.6134 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0720 -1.4162 1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5248 -0.1073 2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3616 2.2103 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6472 2.2355 1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7706 1.3639 1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6376 2.5773 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4625 -0.4424 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4624 0.9008 -1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7480 1.5169 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5527 -0.2337 -1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6660 0.7739 1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5085 -0.9562 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7344 -0.7764 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8882 0.9443 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9494 -0.5624 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4237 0.0893 3.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3496 -1.9072 3.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9397 -2.4273 1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0223 -2.5906 2.9841 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 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 24 26 1 0 26 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 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 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 23 81 1 0 24 82 1 6 25 83 1 0 26 84 1 0 26 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 48118 1 0 M END