HMDB0009068 RDKit 3D PE(18:1(9Z)/20:3(8Z,11Z,14Z)) 131130 0 0 0 0 0 0 0 0999 V2000 4.1466 0.6252 7.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 0.3483 6.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6987 1.4868 5.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1989 1.0326 4.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3256 2.0824 3.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 1.5926 2.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 1.4356 2.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 1.7353 2.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 2.7484 2.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6994 3.8986 2.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 4.3317 4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 5.4818 4.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 6.3106 3.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 6.3717 2.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2741 6.2148 1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 6.4698 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 6.2560 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 4.8924 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 3.8220 -1.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1778 3.3635 -1.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 3.6047 -0.2104 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9239 2.5839 -2.2018 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 2.1401 -1.9251 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4395 0.6677 -1.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7496 -0.0753 -1.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 -1.4317 -0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 -2.1266 -1.6407 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 -2.1562 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -2.8173 1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3641 -3.5202 2.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -4.6125 1.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 -5.3646 2.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -4.5855 3.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 -3.9677 3.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -3.0485 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8436 -3.2734 1.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -4.4187 0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 -5.2315 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1933 -4.4163 -1.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 -5.2177 -2.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 -4.2889 -3.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2955 -4.9605 -5.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1278 -6.1735 -5.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -6.7399 -6.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1522 2.8291 -2.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 2.3970 -2.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 3.1158 -3.6543 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.6696 3.7694 -2.8695 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7679 4.2982 -4.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2153 1.9870 -4.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4732 2.5776 -5.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0600 1.5677 -6.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1561 0.4630 -7.1322 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 0.1459 8.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2299 1.7318 7.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1852 0.1835 7.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3675 0.1738 5.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8645 -0.5210 6.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 2.3949 5.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8081 1.6440 6.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0993 0.9177 3.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6636 0.0638 4.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5116 2.3364 4.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9248 3.0090 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6732 1.3403 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5778 1.0543 1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 0.7579 2.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 1.8779 4.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8768 2.5143 1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4226 4.5389 2.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1547 4.5145 4.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7519 3.4767 4.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 5.6763 5.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2133 7.1353 3.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3604 7.4454 1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7946 5.7519 1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7253 5.2338 1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 7.0043 1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8627 6.0577 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 7.6235 -0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 6.9413 -0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 6.6331 -1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 5.0262 -1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1939 4.5992 0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8726 2.9237 -1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1386 4.1018 -2.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5515 2.5037 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 0.3026 -3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 0.4991 -1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3653 -1.5036 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 -2.9119 -0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8347 -2.1419 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5206 -3.6171 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1762 -3.9076 2.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -2.7391 2.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2064 -4.2523 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1377 -5.3602 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 -6.2434 2.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6908 -5.8221 3.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3227 -3.8563 4.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -5.2928 4.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5621 -3.2854 4.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -4.6774 3.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 -2.1443 2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 -2.5543 0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 -4.0007 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 -5.1343 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1915 -5.6434 -0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 -6.1034 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -4.1382 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -3.5030 -1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -5.5110 -2.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -6.1166 -2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 -3.9007 -4.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1102 -3.4026 -3.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 -5.2192 -5.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -4.2194 -6.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -6.9441 -4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 -5.8297 -5.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7114 -7.8397 -6.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 -6.5442 -6.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0776 -6.2857 -7.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0907 3.9084 -2.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 2.5194 -3.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0453 3.8177 -5.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5178 2.9836 -6.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 3.4298 -5.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0279 1.2005 -6.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1714 2.0774 -7.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4501 -0.3867 -6.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1911 0.7392 -6.8190 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 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 25 26 1 0 26 27 2 0 26 28 1 0 28 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 2 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 1 24 88 1 0 24 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 49125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 M END