HMDB0289412 RDKit 3D PC(18:3(9,11,15)-OH(13)/DiMe(9,5)) 138138 0 0 0 0 0 0 0 0999 V2000 4.7999 4.8379 -5.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 4.7823 -4.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6111 3.7265 -3.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2523 2.6840 -2.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5445 1.6257 -1.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7322 0.2615 -2.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0549 -0.7011 -1.8861 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 0.3793 -3.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9047 0.8175 -4.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 0.9259 -5.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1118 1.3577 -5.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5844 1.4405 -7.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6371 0.5860 -7.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.9881 -6.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 0.0567 -6.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1645 0.2688 -5.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0799 0.1531 -4.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6079 -1.2247 -4.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5667 -1.3465 -2.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6865 -1.6221 -2.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4505 -1.1912 -1.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6241 -1.3544 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 -1.1524 0.3582 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8528 0.2756 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 1.1715 0.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 2.7719 0.5343 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0915 2.8567 1.1348 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 3.2455 -1.0857 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2919 3.8435 1.3535 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 4.5295 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 5.4617 1.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9166 6.2070 0.4621 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.1905 7.0967 -0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7834 6.9872 1.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7484 5.3477 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3331 -2.0469 -0.0396 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1279 -3.0060 0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3611 -3.0286 2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -3.9668 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 -5.0555 1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1227 -5.8474 1.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 -7.0076 2.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 -6.6158 3.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 -5.7310 4.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1154 -5.3812 6.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3986 -4.6747 6.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 -3.3521 5.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6766 -2.6058 4.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 -1.4855 4.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 -0.3378 3.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 0.7975 4.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 0.1987 5.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9717 1.1869 6.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6099 2.3973 6.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5395 -1.4776 4.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 -0.4362 4.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7363 -2.6506 5.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0178 -3.1131 6.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7661 5.2238 -5.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7537 3.7941 -5.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4204 5.4597 -6.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4299 4.6159 -3.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1392 5.7827 -3.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5485 3.7504 -3.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3202 2.6349 -2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 1.5718 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4722 1.8627 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 0.0169 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7045 -1.4125 -2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6939 0.0856 -4.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 1.1155 -3.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 0.6212 -6.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4862 1.6622 -4.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3444 1.1101 -7.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 2.4806 -7.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3686 -0.4600 -7.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9897 0.7170 -8.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 2.0293 -6.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 0.8098 -5.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5397 -0.9816 -6.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 0.0026 -7.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9305 -0.4977 -6.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6452 1.2390 -6.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1357 0.2339 -4.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 0.9553 -4.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2267 -2.0230 -4.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5639 -1.3518 -4.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9928 -2.3646 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3462 -0.6219 -0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5773 -1.3466 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 0.4529 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0176 0.4568 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 3.7787 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5152 5.0201 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3299 6.2020 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5736 4.8674 2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5436 7.7430 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 7.7636 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 6.4900 -1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2103 6.2790 2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6087 7.4493 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 7.7311 1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6746 5.9299 -0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1121 4.4619 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 5.0597 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 -3.4515 0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8585 -4.4776 -0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 -4.6367 2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -5.7053 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -5.2690 2.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2142 -6.2458 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6829 -7.5255 2.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0231 -7.7558 2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -6.1512 3.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8294 -7.5501 4.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5427 -4.8567 4.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -6.3551 4.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -6.3496 6.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 -4.8310 6.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 -5.3278 5.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -4.4870 7.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3207 -0.6066 3.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3017 0.0173 2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 1.0240 5.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 1.6686 4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 -0.1483 5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 -0.6432 6.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 1.4608 7.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6929 0.6550 7.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8812 3.2336 6.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 2.1681 5.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5224 2.6383 6.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 0.3307 4.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -0.0124 5.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -0.9453 4.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 -2.5053 5.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0946 -4.1821 6.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8893 -2.9536 7.3503 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 1 0 6 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 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 51 52 1 0 52 53 1 0 53 54 1 0 49 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 47 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 0 22 89 1 0 23 90 1 1 24 91 1 0 24 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 33 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 35105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 56133 1 0 56134 1 0 56135 1 0 58136 1 0 58137 1 0 58138 1 0 M CHG 2 28 -1 32 1 M END