HMDB0260831 RDKit 3D PE(18:2(9Z,11E)+=O(13)/15:0) 119118 0 0 0 0 0 0 0 0999 V2000 -11.8995 5.4737 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0544 4.6164 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2944 3.5715 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9524 2.8205 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0230 1.7689 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8148 0.9131 -1.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4508 1.4811 -1.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9071 2.1416 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8339 1.2918 0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7451 0.3064 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6445 -0.5858 -0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5957 -1.6853 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2871 -1.1783 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7126 -0.2154 -0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 0.0979 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1954 1.1168 0.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4444 -0.8734 -0.2033 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1673 -1.0703 0.2831 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1737 -1.3521 -0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -1.6790 -0.2075 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2075 -1.7599 -1.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -1.5383 -2.2547 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4779 -2.1479 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5567 -1.2264 0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 0.2096 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1052 0.6497 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8983 0.0521 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1939 0.8817 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2278 0.3142 -1.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5645 -1.0853 -1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7631 -1.3099 -0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5622 -0.2020 -0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3145 0.6490 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2229 1.6987 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0978 2.8953 -0.2175 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4753 1.2674 0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3913 2.4301 0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9129 3.5832 1.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9348 4.7081 1.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9293 5.0887 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -2.3852 1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8513 -3.2499 0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 -4.7403 0.5222 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6975 -4.8492 1.1696 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -5.5785 -1.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2692 -5.7303 1.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -7.0256 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 -8.0411 1.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 -9.3741 1.5463 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9304 5.5000 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9554 5.0272 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0252 6.4852 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9566 5.1968 1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7021 4.1258 1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4633 4.0620 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0476 2.8599 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7022 2.4466 0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2199 3.6072 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8923 1.0563 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2188 2.2366 -2.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9371 0.1578 -2.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8894 0.2322 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6153 2.3913 -2.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7745 0.8585 -2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8157 2.3959 -0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3210 3.1355 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7855 0.7295 1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6478 1.9922 1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7514 -0.3420 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7694 0.9271 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5855 -1.0384 -0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2141 -0.0482 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0493 -2.3984 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5154 -2.2402 -1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2615 -0.6890 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5415 -2.0077 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5497 -0.7870 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2192 0.7118 -0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8233 -0.2951 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5365 -2.2629 -1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 -0.4423 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 -2.0645 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 -3.1516 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5565 -1.2891 1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2591 -1.6177 1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0363 0.5486 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 0.8247 1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8142 0.7863 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 1.7642 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2442 -0.9859 -0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4113 0.2403 -1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 1.8933 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 1.0676 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6446 0.1335 -2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0334 0.9377 -2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -1.8835 -1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8773 -2.3605 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5391 -1.1172 0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3169 1.5788 -0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8808 0.4284 0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2201 0.8284 1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5650 2.7778 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3487 2.0741 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7933 3.3526 2.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9578 4.0404 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6761 5.5855 2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9057 4.2597 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8596 4.9547 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1783 6.1688 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5973 4.4526 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 -2.1406 2.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2722 -2.6868 1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1103 -5.0740 -1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7817 -7.0259 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -7.2193 0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 -8.0317 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8287 -7.8821 2.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3192 -9.5440 0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4846 -9.3518 1.7937 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 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 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 18 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 18 79 1 1 19 80 1 0 19 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 45113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 M END