HMDB0286381 RDKit 3D PC(18:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 139138 0 0 0 0 0 0 0 0999 V2000 6.5374 -6.4117 -0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8441 -6.4686 0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 -5.1878 1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -4.5840 1.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3607 -5.1106 1.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 -5.3718 2.6914 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2064 -6.2901 3.4521 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1981 -5.9334 2.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 -5.5193 2.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 -6.1727 2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4298 -5.8167 2.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5143 -6.5785 1.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7759 -6.2937 2.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2303 -5.1974 2.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5101 -4.9193 3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5732 -5.7286 2.5029 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5250 -6.0964 3.4854 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2057 -5.2314 1.2465 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8296 -6.2406 0.5605 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4684 -4.1924 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2331 -3.8483 -0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5756 -2.6475 -1.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1146 -2.8731 -1.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6242 -3.8995 -2.1714 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -1.8839 -1.2822 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8663 -1.7978 -1.3326 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2141 -1.6285 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8396 -1.4904 -0.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 -2.4032 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3802 -3.4696 -1.1077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 -2.0393 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.8679 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -0.3225 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9767 0.8333 1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 1.4801 1.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 2.5981 2.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2566 3.3573 3.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0154 4.0479 1.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1508 5.0448 1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5838 6.0880 2.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 7.3590 1.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6935 7.9326 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 8.8834 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 10.0555 0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 10.9360 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 11.4833 -1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8277 12.3897 -2.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4971 -0.5556 -2.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1305 -0.4407 -2.1849 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5358 0.8228 -3.0919 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7565 0.4544 -4.5595 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1265 0.9610 -2.7801 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2664 2.2752 -2.7369 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 3.1146 -1.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1713 4.4142 -1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 4.4142 -1.1197 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.9535 5.7947 -1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3638 4.1157 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4361 3.5709 -1.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4013 -5.4509 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5894 -6.6939 -0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0329 -7.1708 -1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9018 -7.0091 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4882 -7.1818 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7633 -4.7080 1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7698 -3.6087 2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -4.2756 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2669 -5.9688 0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3459 -4.4646 3.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0286 -6.6196 3.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 -6.8305 1.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0922 -4.6648 3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0621 -7.0536 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5817 -4.9760 3.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2874 -7.4509 1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4830 -6.9706 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4766 -4.5485 3.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7359 -4.0739 3.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1157 -6.7686 2.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0640 -6.1827 4.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1696 -4.6534 1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1741 -6.9645 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4259 -4.5001 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4397 -3.2502 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2574 -3.6169 -0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1665 -4.6667 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7216 -1.7848 -0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1048 -2.4856 -2.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4424 -2.7085 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4394 -2.5372 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5763 -0.6986 0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1597 -2.9036 -0.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7939 -1.7825 -1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -0.0384 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3141 -1.1569 1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7593 -1.0960 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 0.1259 -0.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 1.5780 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5809 0.4813 2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 0.7665 2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 1.8600 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6381 2.0959 3.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 3.2840 2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 4.1350 3.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 2.7028 3.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8595 4.5933 2.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4348 3.3166 1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 4.4795 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7607 5.4512 0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 5.7931 2.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3331 8.0623 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 7.2334 0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4554 8.6198 1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7236 9.3213 -0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 8.3435 -0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 10.6038 1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 9.6047 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 10.3424 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0601 11.7470 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 10.6524 -2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 12.0479 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 13.1571 -1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1033 11.8419 -3.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5303 12.9093 -3.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8654 -0.6262 -3.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 0.3356 -1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4709 3.2003 -2.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 2.6215 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 5.0681 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 4.9818 -2.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0783 5.7756 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4825 6.2837 -2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 6.3994 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1207 3.0555 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3885 4.3140 0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5969 4.7469 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2457 3.4952 -2.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4501 4.0382 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4874 2.5780 -1.2731 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 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 1 0 35 36 1 0 36 37 1 0 37 38 1 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 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 1 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 16 79 1 6 17 80 1 0 18 81 1 1 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 6 27 90 1 0 27 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 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 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 57131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 52 -1 56 1 M END