HMDB0266443 RDKit 3D PA(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 138137 0 0 0 0 0 0 0 0999 V2000 -16.8158 -1.0824 1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0053 -0.0236 2.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0803 1.2220 1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0574 1.8376 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6810 1.3635 1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6453 -0.0248 1.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0220 1.8732 -0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7782 1.2605 -1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2863 0.4031 -2.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8389 -0.3786 -3.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5157 -0.7614 -3.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5785 -0.1789 -2.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4517 0.3932 -3.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2192 -0.0108 -3.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7235 -1.0881 -2.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5809 -1.8489 -1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4705 -1.8751 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3837 -1.0678 0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4586 -1.9237 1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3055 -1.1087 1.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4133 -0.5746 0.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1199 -0.8283 1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7046 0.1219 -0.1511 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9289 0.6473 -1.1652 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7561 2.1519 -1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 2.5090 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4806 2.1518 -0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 1.6004 -1.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 2.3436 0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 0.9856 1.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3355 -0.0040 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5848 0.4239 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 0.4807 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 0.9187 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0726 0.8767 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 1.4032 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3537 1.2889 1.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7075 -0.1254 1.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3091 -0.3274 3.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 0.4286 3.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7799 0.5014 3.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6522 -0.6575 3.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2552 -1.1463 2.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1363 -0.5932 0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5359 -0.0607 0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5790 0.4357 -0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7879 1.1478 -1.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1416 0.5841 -1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6664 0.4353 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0864 -0.1739 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9654 -1.5173 -0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8869 0.0021 -2.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3657 -1.3127 -2.3527 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1465 -2.0609 -3.8396 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8173 -1.2364 -4.9044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4699 -2.0502 -4.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6795 -3.6486 -3.8656 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.6074 -0.5588 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1510 -1.6543 0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2941 -1.7547 2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6104 0.1835 3.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0428 -0.3537 2.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0711 1.6704 1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2864 2.7849 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0509 1.7751 1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8682 -0.4237 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9555 1.7311 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2577 2.9862 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8316 1.4128 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4943 0.6319 -2.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4573 -0.9144 -3.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3209 -1.4409 -4.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1553 0.8552 -2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4604 -0.5887 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6498 1.2327 -3.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4323 0.4945 -3.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7174 -0.8560 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3717 -1.8999 -2.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3629 -2.4860 -1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1553 -2.4686 0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8822 -0.4108 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9392 -0.4341 1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9949 -2.3328 2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0601 -2.7732 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7257 -0.2256 2.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7327 -1.7016 2.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8397 0.3188 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6817 2.7083 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3621 2.5153 -2.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 3.0918 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5419 2.6973 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 0.6428 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 1.1218 1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6812 -0.9413 0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4859 -0.3046 -0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 -0.4219 -1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4264 1.3318 -1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5037 1.1431 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9148 -0.5228 0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 1.9064 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3071 0.1727 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0767 -0.0667 1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7112 1.6474 1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4089 2.4623 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 0.7975 -0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9180 1.8140 2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2962 1.7871 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8064 -0.7583 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3728 -0.5393 1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4402 -0.1613 4.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4401 -1.4500 3.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5572 0.0694 4.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 1.5120 4.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3369 1.2633 3.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8134 1.0812 2.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8219 -1.1624 4.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8942 -2.0339 2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3444 0.1167 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 -1.4330 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2121 -0.9547 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8434 0.6943 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3176 -0.3807 -1.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7058 1.1629 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6632 1.5630 -2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8032 2.1408 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8480 1.3081 -1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2907 -0.3558 -1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1624 -0.1619 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8064 1.5031 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7301 0.5248 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4030 -0.2636 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6363 -2.2645 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8993 -1.8582 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2681 -1.4419 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8906 -0.0852 -2.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2434 0.5686 -3.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9544 -1.7765 -3.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1918 -4.2182 -3.2188 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 2 0 27 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 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 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 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 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 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 1 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 56137 1 0 57138 1 0 M END