HMDB0287196 RDKit 3D PC(20:2(11Z,14Z)/18:1(12Z)-O(9S,10R)) 141141 0 0 0 0 0 0 0 0999 V2000 -8.8434 -5.3255 5.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 -4.3162 4.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3958 -4.7584 5.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0567 -5.9551 4.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -6.3203 4.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1666 -7.4551 3.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2397 -7.4439 2.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 -6.2209 2.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 -6.4708 2.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 -6.3619 1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4935 -5.9861 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 -4.6762 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6395 -4.6424 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 -3.2325 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6805 -2.7495 -1.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9797 -1.3029 -1.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4349 -0.9307 -1.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 0.5954 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9421 1.0750 -1.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 2.5943 -1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 3.1940 -1.4981 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8025 3.2518 -1.2055 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3683 4.4893 -0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 5.1188 0.3767 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9848 5.8569 0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1294 5.1441 0.6979 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5387 6.0112 0.8390 P 0 0 0 0 0 5 0 0 0 0 0 0 8.7493 5.1976 0.3618 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 6.4304 2.4411 O 0 0 0 0 0 1 0 0 0 0 0 0 7.4582 7.3853 -0.1397 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6751 7.5830 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 8.7994 -1.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7169 8.8144 -2.6824 N 0 0 0 0 0 4 0 0 0 0 0 0 8.2901 8.3802 -3.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5225 8.0579 -2.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3025 10.2142 -2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3717 4.3013 1.4451 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3155 4.4245 2.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5354 5.3843 2.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1321 3.3713 3.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6684 2.0884 2.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3401 2.2790 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0253 1.0481 1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3603 1.2635 0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7653 0.1510 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1442 0.4025 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6005 -0.5396 -2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7416 -1.8754 -1.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9465 -1.0859 -2.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8166 -1.4772 -0.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1409 -1.9334 -1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6633 -3.1263 -1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9870 -4.2919 -0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8839 -5.3944 -1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2294 -6.6371 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 -6.4930 -0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2176 -7.8499 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7903 -4.7649 5.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5190 -5.8966 6.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0782 -5.9255 4.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0153 -3.9712 3.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9035 -3.3688 5.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7583 -3.9167 4.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1524 -4.9392 6.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1503 -5.6960 3.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6580 -6.8264 4.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 -5.4159 4.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5856 -6.6812 5.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -8.4109 3.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0123 -8.3817 2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7907 -5.9210 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -5.3431 3.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7949 -6.7638 3.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8722 -6.5634 1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 -6.7513 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4964 -5.9913 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2492 -3.7948 0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1885 -4.5551 -1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0314 -5.3063 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 -5.0029 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -2.5357 0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1768 -3.1346 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 -3.3255 -2.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -2.8989 -1.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -0.9919 -2.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3691 -0.6350 -1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0629 -1.2925 -2.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 -1.3244 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9402 1.0153 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 0.9692 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 0.6893 -0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 0.8172 -2.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8317 5.2029 -1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2746 4.6615 -1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 5.9597 0.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8682 6.6272 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 6.5292 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5171 7.7055 -0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9806 6.7175 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4630 9.6816 -0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6810 8.9419 -2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 7.7703 -4.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5178 9.2646 -4.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2282 7.7882 -3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 8.4799 -1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8652 8.1715 -3.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6747 6.9859 -2.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2456 10.6699 -1.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2963 10.2723 -3.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0705 10.7135 -3.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4678 3.7026 4.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 3.1652 3.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5195 1.3498 3.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 1.7685 2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4387 2.4917 2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 3.1728 1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 0.9292 0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0384 0.1228 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 2.1983 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 1.3233 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0041 0.0205 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 -0.8156 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 1.4626 -1.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8989 0.3645 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 -0.1763 -3.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4327 -1.2646 -3.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0239 -0.5374 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3895 -2.2079 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7954 -1.1837 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6825 -3.3174 -1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5479 -4.6321 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9518 -4.0455 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9365 -5.6398 -1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4088 -4.9960 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 -7.1407 -0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2206 -7.3844 -2.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1505 -6.0619 -1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7915 -5.8714 0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1796 -7.6912 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8197 -8.3681 0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1642 -8.5298 -1.3037 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 1 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 49 47 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 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 1 25 96 1 0 25 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 34102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 36110 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 49126 1 0 50127 1 0 50128 1 0 51129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 57141 1 0 M CHG 2 29 -1 33 1 M END