HMDB0008869 RDKit 3D PE(14:1(9Z)/20:3(5Z,8Z,11Z)) 119118 0 0 0 0 0 0 0 0999 V2000 -13.9334 -0.5190 -3.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2711 -1.7426 -2.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1775 -1.8997 -1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1975 -0.6295 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1920 -0.6764 0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2165 0.1935 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0235 1.2991 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6615 1.2345 -1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5532 1.2953 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2207 1.2372 -0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0681 1.3130 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0663 0.1925 1.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9416 -1.1664 0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6353 -1.1671 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -0.8045 -1.4919 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4642 -1.5641 0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1878 -1.5907 -0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 -2.0460 0.6838 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2104 -1.0189 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -1.5869 2.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -0.6411 4.2445 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4796 -1.4218 5.2801 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9402 -0.4561 4.8195 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4058 0.8383 4.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 1.8636 4.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 3.2019 3.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9213 4.2360 3.9739 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1217 -2.1608 0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8733 -3.2738 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2347 -4.2115 1.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2957 -3.4901 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 -2.7210 1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 -1.2080 0.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3358 -0.9087 -0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2633 -0.0972 -0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 0.6294 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0258 2.0772 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 2.8250 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 2.3523 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 2.6277 -2.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3140 1.7848 -2.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4540 0.3667 -2.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8524 -0.1310 -2.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9493 0.4972 -2.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7948 0.2839 -0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9029 0.8822 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2728 0.3646 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5418 -1.0533 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7671 -2.1196 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4449 0.3898 -2.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8433 -0.3295 -3.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2107 -0.6863 -4.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2669 -1.6896 -2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2320 -2.6312 -3.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3710 -2.7471 -0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2301 -2.0005 -2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2539 0.2530 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2159 -0.6784 -0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2410 -1.4820 1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4885 0.1027 1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7756 1.4877 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9584 2.2528 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6685 0.2743 -1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6123 2.0587 -1.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6344 0.5104 0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6218 2.2754 0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1398 0.2954 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1254 2.0698 -1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1319 1.3307 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1402 2.3111 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 0.3518 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9478 0.2676 1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9251 -1.9101 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8051 -1.3194 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0285 -0.5894 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -2.3679 -1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5343 -3.0272 1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 -0.9978 2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 -0.0752 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9318 -0.1534 5.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 1.7190 3.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 1.8106 4.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6567 3.3089 2.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 3.4244 4.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 5.1754 3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 4.1324 3.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5212 -4.5787 0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4837 -3.3648 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3152 -2.9504 0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.9479 2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 -1.0484 1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 -0.6425 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 -1.4120 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4062 0.0681 -2.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9077 0.4442 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1690 0.2101 -0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 2.5262 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8704 3.9245 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6587 1.4156 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0272 3.1041 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8144 3.6891 -2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5974 2.1351 -3.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1710 0.0268 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7950 -0.1940 -3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8972 -1.2613 -2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1331 -0.0171 -3.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9582 0.1557 -2.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9806 1.6173 -2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5474 -0.7530 -0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8716 0.8701 -0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8468 1.9962 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6460 0.6908 1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9530 0.9932 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6689 0.5756 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6378 -1.2199 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4468 -1.1243 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9406 -2.4819 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4516 -3.0291 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4796 -1.8239 -1.3520 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 2 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 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 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 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 0 17 76 1 0 18 77 1 1 19 78 1 0 19 79 1 0 23 80 1 0 25 81 1 0 25 82 1 0 26 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 49119 1 0 M END