HMDB0286630 RDKit 3D PC(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 135134 0 0 0 0 0 0 0 0999 V2000 -0.4176 -1.1367 -2.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 0.0306 -3.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3043 0.6199 -4.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 1.7222 -4.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 2.3934 -5.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.4276 -6.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 1.3027 -6.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 2.0991 -6.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7371 1.3601 -5.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 1.5293 -4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 2.4432 -3.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.1642 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9727 1.0856 -1.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4743 -0.2129 -1.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 -1.1987 -1.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6382 -2.5996 -1.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 -3.4877 -1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -3.3964 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -2.8406 0.6944 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 -3.8696 0.8705 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -3.7846 2.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3704 -2.4238 2.8469 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7703 -2.5591 4.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 -3.4252 4.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4475 -3.7265 5.8725 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9562 -5.1646 5.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2101 -3.6070 7.0209 O 0 0 0 0 0 1 0 0 0 0 0 0 4.6904 -2.7157 6.3394 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5471 -2.3505 5.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 -1.4512 5.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5721 -1.0114 4.7871 N 0 0 0 0 0 4 0 0 0 0 0 0 7.8185 -1.9004 3.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8424 -0.6009 5.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0279 0.2342 4.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 -1.6222 2.6514 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -0.4648 1.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -0.0448 1.3179 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 0.3204 1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 1.2676 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2579 2.1899 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 1.5133 0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4277 1.5241 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1714 2.3240 -1.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2907 1.3600 -2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0902 1.5909 -3.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9941 2.7406 -4.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3887 2.2868 -4.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4637 2.7120 -3.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7023 3.8127 -2.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6204 4.6610 -2.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3236 4.8860 -0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9984 4.3639 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0289 3.5678 1.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6215 3.0519 2.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7868 2.1190 2.1723 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4399 0.8700 1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9434 2.7221 1.7107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 -1.8663 -3.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2429 -0.8079 -1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3344 -1.6375 -1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3017 0.8344 -2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6592 -0.3546 -3.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 0.9909 -3.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7716 -0.1917 -4.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 1.3752 -5.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6207 2.5338 -4.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 3.1613 -6.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 2.9948 -5.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7087 0.7441 -7.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9981 0.5043 -7.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2828 2.9646 -5.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 2.6730 -7.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2764 0.5795 -6.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 0.9020 -3.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7011 3.1273 -3.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.2724 -3.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5507 3.0945 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5062 1.1506 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3078 -0.6272 -1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6036 -0.3922 -2.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5034 -0.8744 -2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 -1.0107 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7216 -2.7262 -2.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -2.9283 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 -3.1731 -1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 -4.5515 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3474 -4.2670 2.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 -4.4550 2.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 -1.8756 2.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 -1.6156 4.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9765 -3.0130 4.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9883 -1.9423 4.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0059 -3.3167 4.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2508 -1.9793 6.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2515 -0.5520 6.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6637 -2.6057 3.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 -1.3056 2.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9835 -2.5090 3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3845 -1.4460 5.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4601 -0.2230 4.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6475 0.2331 6.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6725 0.4929 3.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1609 1.0636 4.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9777 0.1194 3.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3318 0.9040 2.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 -0.3519 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1765 1.9346 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 0.6961 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 2.8789 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2641 2.8922 1.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8121 0.8879 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3762 0.9622 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1604 2.7139 -1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9634 3.0748 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 0.4407 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1189 0.8091 -4.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7753 3.5236 -3.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 3.2038 -5.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5523 1.3889 -4.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4124 2.1126 -3.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5087 4.4899 -3.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2923 3.3646 -1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0200 5.2154 -3.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4324 5.5668 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3832 5.2524 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8185 3.7033 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1365 4.1705 1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7371 2.7085 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8232 2.4826 2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9319 3.9235 2.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0351 1.7760 3.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3010 0.2046 1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9877 1.1317 0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6723 0.2650 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0333 3.6251 2.0774 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 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 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 0 21 88 1 0 22 89 1 6 23 90 1 0 23 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 32 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 34104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 1 56132 1 0 56133 1 0 56134 1 0 57135 1 0 M CHG 2 27 -1 31 1 M END