HMDB0289224 RDKit 3D PC(20:4(6E,8Z,11Z,14Z)-OH(5S)/DiMe(9,3)) 136136 0 0 0 0 0 0 0 0999 V2000 -0.6923 -1.3299 -9.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 -0.0146 -9.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 0.8791 -8.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 0.2523 -6.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 1.1579 -5.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0177 2.4239 -5.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 2.9732 -4.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6025 2.5151 -3.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 1.2971 -2.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 0.2317 -2.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7519 0.1613 -2.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3605 -0.9657 -2.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9889 -1.9438 -2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1663 -2.0528 -0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8255 -3.0877 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -3.1879 1.0667 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8202 -2.7834 1.6852 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5954 -4.4318 1.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -5.7551 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 -5.9707 1.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 -5.2296 1.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -4.9860 0.1603 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -4.7400 2.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5514 -4.0308 1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6231 -3.6329 2.4999 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7471 -3.0340 1.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8235 -2.6031 2.4721 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9388 -1.9716 1.3339 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.2848 -1.8019 1.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1273 -3.0280 0.0297 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.3651 -0.5047 0.7098 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4119 0.3639 0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0859 1.7184 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1334 2.4631 0.8296 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.2816 3.2528 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2742 1.7085 1.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8396 3.4251 1.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0172 -2.8098 3.4435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 -3.1471 4.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0252 -4.3017 5.1443 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 -2.1454 5.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 -0.7401 5.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5303 0.1950 5.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5661 1.6324 5.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 1.9751 4.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5087 1.6046 4.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1808 1.9622 2.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6146 1.5613 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 1.8668 1.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9945 2.4035 0.7189 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 2.5079 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 3.0657 -1.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8278 2.0870 -2.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9496 1.1249 -2.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1165 1.9988 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5102 1.8742 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7264 1.5936 1.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6232 0.9691 2.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3508 -2.0139 -8.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 -1.1530 -9.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 -1.7835 -10.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 -0.1527 -8.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1374 0.5160 -10.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 1.8175 -8.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7025 1.1109 -8.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3118 -0.7652 -6.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1318 0.1336 -6.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 0.6236 -5.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6436 1.3904 -6.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8675 3.0015 -6.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 3.9761 -4.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 3.3963 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4158 2.6487 -2.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3923 1.2780 -3.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -0.6266 -2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 1.1084 -2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9978 0.0029 -1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 -0.9594 -4.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 -2.7279 -3.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 -1.3557 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -3.8388 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 -2.3577 1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8089 -1.8072 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 -4.5144 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 -4.2547 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9321 -6.0091 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7001 -6.5702 1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 -7.0811 2.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -5.6213 3.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 -4.6651 0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1753 -3.1265 0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8828 -4.6156 2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0456 -3.7909 0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 -2.1493 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9266 0.4393 1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1629 -0.0895 -0.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0423 2.2873 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7403 1.6009 -0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9265 3.5730 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9586 4.2060 0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3762 2.7262 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8131 1.0212 2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4204 1.2297 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7935 2.4651 2.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1778 4.2992 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 3.7193 2.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7461 2.8882 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 -2.3415 5.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5447 -2.1816 6.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 -0.7032 4.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 -0.5070 5.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0744 0.1211 6.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5053 -0.1597 6.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6289 1.9572 5.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 2.1937 6.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5091 1.4820 3.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 3.0778 4.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 2.1479 5.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 0.5172 4.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 1.5775 2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 3.0723 2.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0639 2.0894 3.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 0.4779 3.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7808 3.7531 -1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0218 3.7548 -1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 2.6932 -3.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8561 1.5412 -2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9749 0.3299 -2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7955 0.5670 -3.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 1.5685 -2.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6996 2.5759 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6477 0.8449 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2234 2.0459 0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5304 1.6150 2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 0.8960 3.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8886 -0.0428 2.3699 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 2 0 15 16 1 0 16 17 1 0 16 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 51 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 49 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 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 16 82 1 1 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 24 90 1 0 24 91 1 0 25 92 1 1 26 93 1 0 26 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 35 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 37107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 54130 1 0 56131 1 0 56132 1 0 56133 1 0 58134 1 0 58135 1 0 58136 1 0 M CHG 2 30 -1 34 1 M END