HMDB0113055 RDKit 3D PE-NMe(16:0/22:4(7Z,10Z,13Z,16Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -1.2596 2.1690 -8.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 2.9060 -7.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 4.1418 -6.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 4.8605 -5.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7384 6.1100 -5.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 6.7443 -4.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 6.9336 -2.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0379 6.5434 -2.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8595 7.6991 -2.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 7.7558 -1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4041 6.7009 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9005 7.3051 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8101 6.9552 1.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 5.8844 1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 6.5385 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 6.1316 1.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 5.0039 2.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7675 4.0491 2.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 2.8718 3.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9384 1.9492 2.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1293 1.3348 1.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 0.4746 0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 0.5058 -0.3021 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 -0.4284 1.6415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 -1.2323 1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8449 -2.7052 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 -3.4321 0.2294 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -4.7971 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 -5.2740 0.3203 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0107 -5.5527 -0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2746 -5.8117 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2962 -6.6182 1.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -6.0416 2.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6674 -6.9225 3.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 -8.2837 3.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3506 -8.3992 3.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1788 -7.8066 4.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6308 -7.9804 3.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 -7.3126 2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5825 -7.5690 2.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 -6.8928 1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5726 -7.1910 1.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -6.5832 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7393 -6.9924 -1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 -1.0641 1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4646 0.0664 1.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3688 1.2818 1.1022 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4769 2.0438 2.4664 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0147 0.8764 0.7716 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0055 2.4882 -0.0602 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 2.4325 -0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3557 3.5512 -1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0563 3.5312 -1.7378 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 4.6758 -2.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 2.3916 -9.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3205 2.3200 -8.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 1.0639 -8.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 2.2068 -6.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 3.1143 -7.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4368 4.8285 -7.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5886 3.8937 -6.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 4.1319 -4.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 5.1194 -5.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 6.7537 -6.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7368 5.7571 -5.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 7.0888 -4.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0155 7.4416 -2.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 5.7533 -1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5314 6.0748 -3.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9358 8.5187 -2.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0365 8.6856 -0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5234 6.4613 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 5.7563 -0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5459 8.1289 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4658 7.4174 2.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8204 5.1592 2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2714 5.3781 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 7.3915 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4262 6.7330 1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 4.4665 2.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 5.4236 3.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7183 4.6418 2.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 3.8411 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 2.3822 3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 3.2913 4.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 2.5657 3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 1.1708 3.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 0.7030 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 2.1554 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4271 -0.9262 -0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -3.1099 1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 -2.7266 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2778 -4.9947 -1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6254 -6.5631 -1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7923 -4.7956 0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0153 -6.2490 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3818 -6.7288 1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -7.6459 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 -5.6918 2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1365 -5.1044 2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1784 -6.3813 4.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 -6.9645 3.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6378 -8.9375 2.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2772 -8.7948 4.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -9.4577 3.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 -7.8921 2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0011 -8.3636 5.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9923 -6.7075 4.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -9.0950 3.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2097 -7.5531 4.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9101 -6.2238 2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 -7.6826 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 -8.6565 2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1108 -7.1702 3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 -5.8017 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5598 -7.3437 0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0591 -6.7862 2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7198 -8.2998 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3343 -6.9306 0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3298 -5.4759 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9984 -7.7890 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2578 -6.1263 -1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5479 -7.3190 -2.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5443 -1.8725 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1507 -1.5380 2.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 0.4509 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0065 2.3240 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 1.4987 -1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6406 4.5497 -1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9048 3.3281 -2.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 2.6827 -2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 4.5095 -3.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7902 5.6018 -2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 4.9133 -2.4518 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 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 1 0 43 44 1 0 25 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 49126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M END