HMDB0288656 RDKit 3D PC(24:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 157156 0 0 0 0 0 0 0 0999 V2000 -3.9159 -4.1919 -4.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0159 -4.9571 -5.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8072 -5.7184 -4.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1054 -5.5782 -4.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8833 -4.5967 -5.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2087 -5.1046 -5.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 -3.2702 -4.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8078 -2.5497 -4.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5041 -2.2390 -2.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2907 -1.5262 -2.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9531 -1.2019 -1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7406 -1.5130 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 -2.3943 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3484 -3.1490 1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2452 -3.2177 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0995 -4.5549 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 -5.1926 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 -4.9119 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0644 -3.7315 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 -2.5045 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0693 -2.7205 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5863 -3.7933 -1.7192 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -1.6084 -2.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 -1.7664 -3.3075 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4774 -0.9006 -2.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 0.4359 -2.8283 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 1.3549 -2.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 0.9013 -2.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7807 2.7908 -2.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9284 3.3592 -1.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9027 2.6864 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9684 3.1558 0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3715 2.9522 0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8731 1.6165 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8235 0.5154 1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -0.0054 1.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 -1.1452 2.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 -1.8150 3.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 -0.9318 3.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 -1.7492 4.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -0.9617 5.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8463 0.0423 4.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 0.8590 5.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 1.8539 4.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8523 2.6770 4.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 3.6383 4.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1838 4.7266 3.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 4.4043 2.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 3.6023 1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 3.3264 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 2.5282 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5986 -1.1875 -4.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 0.1757 -4.2765 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 0.8851 -5.5765 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9460 0.5934 -5.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 0.2083 -7.0065 O 0 0 0 0 0 1 0 0 0 0 0 0 0.7541 2.5654 -5.5247 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 3.1606 -5.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3678 4.6521 -5.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1512 5.2652 -4.7179 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.2065 6.7103 -4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1718 4.9454 -3.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 4.9453 -4.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6998 -3.2229 -5.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2842 -4.0556 -3.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 -4.8394 -4.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5532 -4.2222 -6.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4761 -5.6466 -6.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2371 -6.4704 -4.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5691 -6.2129 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5065 -4.5344 -6.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1837 -5.7807 -6.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6827 -3.3709 -3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6479 -2.6175 -5.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1236 -2.2577 -4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1955 -2.5469 -2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6154 -1.2444 -3.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0289 -0.6043 -1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8382 -1.6819 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9014 -0.4731 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1328 -2.4607 1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2524 -3.7513 1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2022 -2.3976 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3184 -3.0950 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0191 -4.9849 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0984 -6.2385 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -5.2576 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3515 -5.7720 0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3497 -3.5008 1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 -4.0418 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -1.7892 0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7572 -1.9844 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5795 -2.8243 -3.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -1.2238 -2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1691 -0.9242 -3.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 3.0096 -1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 3.3391 -3.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8532 3.1456 -1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 4.4337 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 3.0437 0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7815 1.6007 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7937 4.3158 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 2.9052 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 3.4105 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5418 3.6621 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 1.2598 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9953 1.7572 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4229 0.7355 2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4140 -0.3514 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9072 -0.4801 0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 0.6798 2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 -1.8936 2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5319 -0.7701 3.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -2.6842 3.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 -2.2831 2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 -0.4191 4.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2346 -0.1844 3.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -2.5681 5.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -2.2633 3.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 -0.4865 6.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7459 -1.6847 5.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 0.7246 3.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2326 -0.5072 3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 0.1928 5.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 1.3887 5.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 2.4990 3.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4056 1.3014 3.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4955 1.9189 5.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 3.2151 5.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 4.1561 5.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5721 3.0843 3.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0192 5.4446 3.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 5.3182 4.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5762 4.0784 2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 5.4242 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6261 2.6607 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 4.2025 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1416 4.2567 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 2.7225 -0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1571 1.9022 -0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 3.2223 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 1.8903 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 -1.7378 -4.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 -1.2433 -5.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 2.7440 -5.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5082 2.8318 -7.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 5.0802 -6.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5272 4.9290 -6.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 7.2291 -4.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2615 6.9652 -6.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 7.1640 -4.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2766 3.8581 -3.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1335 5.4327 -4.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8532 5.4102 -2.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 5.8705 -3.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8512 4.5435 -4.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 4.2520 -3.2914 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 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 23 24 1 0 24 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 50 51 1 0 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 60 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 24 93 1 6 25 94 1 0 25 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 61149 1 0 61150 1 0 61151 1 0 62152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 63157 1 0 M CHG 2 56 -1 60 1 M END