HMDB0007347 RDKit 3D DG(18:4(6Z,9Z,12Z,15Z)/22:0/0:0) 124123 0 0 0 0 0 0 0 0999 V2000 18.3666 -0.3073 -2.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0267 -1.0357 -2.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7053 -1.8323 -1.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6403 -1.6100 -0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6709 -0.5034 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6349 0.3677 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5826 0.5991 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2790 0.0040 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7336 -0.8026 1.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6523 -0.5444 2.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7290 0.5326 2.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8545 1.6254 1.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0149 1.8975 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7778 1.1660 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9096 0.6904 -1.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7808 -0.0744 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4608 0.5867 -2.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8669 1.0394 -0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 2.2160 -0.7087 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 0.1961 0.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2485 0.5175 1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 0.9578 1.5266 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5186 1.3073 2.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 0.1945 3.8055 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8885 0.0314 1.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9415 0.2696 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9312 1.4103 -0.4561 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 -0.7692 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9681 -0.1528 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -1.1416 -1.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8275 -1.6518 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5143 -0.5701 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 0.2247 -0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1258 1.3225 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7893 0.9133 1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9139 0.0117 1.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2261 0.3250 0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2338 0.4142 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6127 0.7514 -1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6507 -0.2795 -0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0056 0.0756 -1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0715 -0.9119 -0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2905 -1.1025 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6476 0.1819 1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8016 0.9026 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1871 0.5472 0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8470 -0.6302 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5606 -1.9825 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5832 0.2753 -3.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1928 -1.0302 -2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2674 0.3238 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2904 -1.8293 -3.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2517 -0.4631 -3.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3944 -2.6613 -1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4730 -2.2497 0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7579 -0.8543 -1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1751 0.1879 -1.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5700 0.8410 0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5988 1.2609 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4739 -0.7338 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5468 0.6595 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3432 -1.7005 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3866 -1.2893 3.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6234 0.9841 3.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6442 0.1289 2.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7151 2.3215 1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2430 2.7801 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 0.4122 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9742 1.9637 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8113 0.0087 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2093 1.5293 -2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6072 -1.0540 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1272 -0.4286 -3.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7411 -0.1930 -2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4271 1.3826 -2.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4465 -0.3439 2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8531 1.3701 1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 1.9398 0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 2.0456 3.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 1.7901 3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 -0.5311 3.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5563 -1.5717 -0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 -1.2034 0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 0.7597 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 0.0972 -2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 -0.6299 -2.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5746 -2.0027 -2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -2.3426 -1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2312 -2.2422 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 0.1370 0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9502 -1.0192 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2843 -0.4085 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9772 0.7428 -1.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6164 2.0502 -0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1682 1.9158 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9709 0.5917 2.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1179 1.8927 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6774 -1.0625 1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1503 -0.1218 2.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0293 -0.3651 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5482 1.3230 1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9815 -0.6139 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5588 1.1527 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5175 0.7844 -2.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8721 1.7605 -0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3413 -1.2731 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7380 -0.3575 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2761 1.1237 -1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9609 0.1053 -2.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7761 -1.8890 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0328 -0.5704 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9380 -1.9179 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2733 -1.4023 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7476 -0.0515 2.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6990 0.8613 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7121 1.9896 1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6284 1.1912 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7843 1.4521 0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5491 0.6539 1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9758 -0.4974 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6827 -0.6107 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0218 -2.6127 -0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5221 -2.5838 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0363 -1.9038 1.6748 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 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 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 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 21 76 1 0 21 77 1 0 22 78 1 6 23 79 1 0 23 80 1 0 24 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 48124 1 0 M END