HMDB0056321 RDKit 3D DG(20:3n6/0:0/20:3n6) 120119 0 0 0 0 0 0 0 0999 V2000 14.8422 -3.0251 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3560 -3.6202 -1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3611 -2.7795 -2.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5451 -1.5528 -2.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8178 -0.4732 -1.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8628 0.6509 -1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9702 1.0886 -0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8424 0.4816 0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1138 1.4028 1.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3081 1.7134 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9356 1.1814 2.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9876 2.3225 2.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0138 2.4489 1.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6784 1.5483 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2692 0.9688 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2856 2.0853 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8749 1.5780 1.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 0.7123 2.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 0.2167 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 -0.5550 1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.1480 2.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 -0.6983 0.6005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4489 -1.4029 -0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0545 -0.8580 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 0.5222 -0.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5088 -1.5156 -1.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7545 -0.9269 -2.2321 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -1.1170 -1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 -1.8156 -0.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -0.5325 -1.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2776 -1.0147 -0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2129 -0.9253 0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0059 0.3686 1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 1.4681 1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3666 1.4122 1.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1941 0.5067 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1625 0.9465 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5082 2.3046 -0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7554 2.9506 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8732 2.6418 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3394 1.4077 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6134 0.1995 1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8773 -0.9346 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9776 -1.2045 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4294 -1.6640 -1.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4469 -1.9827 -2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3725 -0.9583 -3.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3424 -0.3241 -2.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3983 -3.8097 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0389 -2.7013 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5804 -2.2383 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0643 -4.4871 -1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3768 -4.1553 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9865 -3.4348 -3.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4281 -2.5700 -2.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7245 -1.0883 -3.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4432 -1.7727 -2.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8372 -0.7501 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8413 -0.0227 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9451 1.1088 -2.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3047 1.9244 -1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7360 0.1743 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3683 -0.4484 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1209 1.8862 1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6693 2.4301 3.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6361 0.4173 2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8415 0.6960 3.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1282 3.1046 3.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3801 3.3545 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3758 0.7462 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6595 2.1843 -0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 0.2735 0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2949 0.3236 2.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 2.8021 2.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 2.6568 0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6725 0.9768 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 2.4094 1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 -0.1504 2.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1191 1.3372 3.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 -0.3656 3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 1.0767 3.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -2.4982 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 -1.2063 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -1.0344 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7678 0.6524 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2079 -1.3872 -2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6104 -2.5876 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4036 -0.7463 -2.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0165 0.5786 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4296 -2.1129 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 -0.5416 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -1.6688 1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1318 -1.4122 1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9609 0.1256 2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9203 0.7336 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 1.7947 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5121 2.3915 1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4753 0.9961 2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7450 2.4383 1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0959 -0.5660 0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6750 0.1585 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2976 2.5584 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6655 2.9558 -0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7205 4.0749 -0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6217 3.5287 0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8377 1.6988 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3268 1.1810 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7735 0.1754 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2523 -1.8057 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5802 -2.0287 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6257 -0.3623 -0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8696 -2.6329 -1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6336 -0.9575 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9093 -2.5172 -3.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0750 -2.8340 -2.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0005 -1.4629 -4.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8179 -0.1734 -3.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3330 -0.0992 -2.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0580 0.7039 -2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6079 -0.9939 -1.5961 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 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 24 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 2 0 37 38 1 0 38 39 1 0 39 40 2 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 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END