HMDB0287644 RDKit 3D PC(18:3(10,12,15)-OH(9)/20:4(8Z,11Z,14Z,17Z)) 135134 0 0 0 0 0 0 0 0999 V2000 1.0815 -3.2480 -8.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4105 -3.8423 -7.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 -2.9268 -6.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 -3.3208 -5.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 -4.7141 -4.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2699 -5.1096 -4.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4681 -5.4352 -3.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 -5.4738 -1.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -6.8883 -1.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7303 -7.2232 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0498 -6.2984 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 -6.5284 1.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3117 -5.7012 2.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -4.2800 2.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4742 -3.4285 3.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 -2.0063 3.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 -1.1616 2.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 0.2649 2.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7624 1.3097 1.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0502 1.2165 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 2.1371 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1548 0.3147 -0.7867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 0.3913 -1.9498 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6719 -0.8517 -2.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4673 -1.0866 -1.6126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8124 -1.2029 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 -1.0761 0.5474 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2486 -1.4836 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4456 -0.8583 1.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 0.6597 1.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 1.2598 2.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 2.7565 2.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5734 3.3556 4.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9216 3.0021 4.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1873 3.6522 5.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 5.0198 5.9183 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0959 3.2018 6.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 4.0825 7.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 3.7485 8.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3085 4.6997 8.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7985 4.3780 9.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1064 4.6975 8.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1705 5.2139 7.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4933 5.5261 7.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6426 4.7265 5.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2041 0.8383 -3.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2297 0.8925 -4.1984 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 1.4394 -5.6645 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9176 2.9570 -5.7045 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3054 0.7174 -5.9561 O 0 0 0 0 0 1 0 0 0 0 0 0 0.7186 0.9513 -6.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4314 0.3947 -6.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4012 -0.0198 -7.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 -0.6009 -6.7692 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9583 0.1134 -5.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7408 -0.5332 -7.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3889 -1.9726 -6.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9463 -3.5323 -9.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1905 -2.1346 -8.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2312 -3.5326 -7.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 -3.8664 -8.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1577 -4.8138 -7.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1139 -1.8802 -6.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5128 -2.5706 -4.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1408 -4.6199 -4.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 -5.4023 -5.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -5.1111 -4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 -5.7146 -2.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3946 -5.2965 -2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7616 -4.7379 -1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 -7.6312 -2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -8.3007 -0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0631 -5.2438 0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 -6.6021 1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1306 -7.5848 2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -6.0568 3.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6382 -3.9638 1.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0057 -4.1118 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -3.8817 4.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5732 -3.5965 3.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.5552 4.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 -1.7866 3.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9222 -1.1867 2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 -1.4860 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 0.4512 3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2851 0.2531 2.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8782 1.2170 1.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 2.3160 1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 1.2756 -1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -0.9232 -3.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 -1.7647 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -0.9948 -0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4174 -2.5556 0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4924 -1.0336 1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7218 -1.2943 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2158 0.8318 1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0155 1.0857 0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4617 0.9702 3.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 0.8853 3.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 3.2058 1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3194 3.0086 2.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8284 2.9468 4.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3662 4.4504 4.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6714 3.3205 3.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9452 1.8999 4.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1595 3.2638 6.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 5.4501 5.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0231 2.1511 7.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3551 5.1258 6.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 2.7068 8.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4938 5.7068 8.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7247 4.9732 10.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 3.3228 9.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0219 4.5169 9.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 5.4010 7.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 6.5787 6.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3086 5.1359 7.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 4.6667 5.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3359 5.1989 5.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 3.6956 6.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 1.8198 -3.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9164 0.0453 -3.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1552 -0.5156 -5.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 1.1287 -5.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9784 -0.7614 -8.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 0.8525 -7.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 -0.2572 -4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0326 -0.1309 -5.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9184 1.2086 -5.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4979 -0.7491 -8.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2887 0.4309 -7.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4395 -1.3361 -7.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3654 -2.4021 -6.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -2.0777 -5.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0163 -2.5968 -7.2522 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 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 1 0 35 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 23 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 55127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 M CHG 2 50 -1 54 1 M END