HMDB0269901 RDKit 3D PG(20:3(6,8,11)-OH(5)/20:3(8Z,11Z,14Z)) 137136 0 0 0 0 0 0 0 0999 V2000 2.1692 1.1589 -7.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3224 -0.0954 -7.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 0.2388 -7.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0228 -0.9678 -7.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 -1.8572 -6.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 -2.9912 -6.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4869 -3.2594 -5.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 -2.4246 -4.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 -3.3028 -2.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 -3.5828 -1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5416 -3.0681 -1.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7223 -2.3262 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0896 -1.0776 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3755 -0.2135 -1.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 1.0467 -1.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0488 0.6713 -1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 1.9126 -1.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 1.7716 -1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0028 1.1155 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1409 -0.3101 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7971 -1.0765 -1.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -0.8909 0.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.2751 0.9121 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0475 -2.4378 2.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 -1.7707 2.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7232 -1.8121 4.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 -2.4777 4.8667 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9651 -1.0807 4.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5361 -0.3589 3.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 0.4260 3.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4717 1.4896 4.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6301 2.1843 4.8189 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 2.3807 4.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4874 3.0789 2.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4288 3.9729 2.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6372 4.6366 1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6824 5.5467 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3864 5.7091 1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 5.4066 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1003 5.5073 1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 6.0135 2.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5306 6.0743 3.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3828 4.9319 3.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 4.0202 4.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 3.1406 4.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6988 1.9648 4.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 2.2247 2.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -2.9756 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6013 -4.3324 1.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1436 -5.0027 0.8054 P 0 0 0 0 0 5 0 0 0 0 0 0 3.4093 -6.1026 1.8063 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3413 -3.8148 0.9865 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2909 -5.6256 -0.7509 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0317 -6.8029 -0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 -7.3670 -2.1107 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8964 -7.6203 -2.6086 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9276 -6.4340 -3.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2078 -6.1929 -2.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 0.8585 -7.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 1.7066 -8.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 1.8590 -6.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 -0.6783 -6.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5749 -0.6743 -8.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4138 0.8291 -8.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.8771 -6.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8009 -1.5905 -8.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 -0.6723 -7.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3602 -2.1940 -6.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7216 -1.1979 -5.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 -3.6785 -7.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1538 -4.1407 -5.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9938 -1.5271 -4.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 -2.0676 -4.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 -3.7675 -2.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 -4.2513 -1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2464 -3.9833 -1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -2.5537 -2.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -2.9180 0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 -0.6506 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4554 0.1477 -1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 -0.6787 -2.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7166 1.5404 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7696 1.6879 -2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9539 0.1230 -0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -0.0490 -2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5621 2.6313 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5588 2.4411 -2.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.2647 -2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3188 2.7989 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1739 1.6626 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0932 1.3875 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3207 -2.7761 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 -2.0385 3.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -3.5376 2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6811 -1.8204 4.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -0.3579 5.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8165 -1.1051 2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 0.3150 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5293 -0.2751 3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1629 0.8906 2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1429 1.0435 5.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4373 3.0246 5.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4659 2.4570 4.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4043 2.9877 2.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4977 4.0829 2.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 4.4882 0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5337 5.3086 -0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1832 6.5673 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 6.0615 2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 5.0426 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 6.2519 0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6763 4.5965 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 5.3562 3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6658 7.0038 2.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 6.7458 2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 6.7840 4.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 4.3072 2.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 5.3600 3.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3954 4.5272 5.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 3.2986 4.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 2.7402 5.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 3.6861 5.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4441 1.1259 4.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7556 1.4922 4.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 1.2770 2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5987 3.0106 2.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2282 2.4712 1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1339 -2.7638 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -2.5248 1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2967 -3.1740 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0642 -6.5680 -0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -7.5089 -0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 -8.3372 -2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4324 -8.2056 -1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0858 -6.8874 -3.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4318 -5.4436 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7707 -5.8842 -3.2344 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 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 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 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 23 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 55 57 1 0 57 58 1 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 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 6 24 93 1 0 24 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 32102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 52130 1 0 54131 1 0 54132 1 0 55133 1 1 56134 1 0 57135 1 0 57136 1 0 58137 1 0 M END