HMDB0298008 RDKit 3D DG(a-21:0/0:0/18:1(12Z)-O(9S,10R)) 126126 0 0 0 0 0 0 0 0999 V2000 14.3930 -2.8267 1.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8969 -3.0931 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4996 -2.0571 -1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0333 -0.7126 -0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5782 0.4433 -1.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1014 0.2745 -2.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3631 1.1419 -3.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9446 2.4065 -2.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4347 2.5466 -2.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9040 1.4321 -2.0817 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9145 2.8154 -1.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5619 3.2953 -1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 2.4784 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2938 1.1007 -1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2756 0.9713 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1830 1.6596 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7929 1.2703 0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4678 -0.1791 0.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0253 -0.3839 0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3634 0.6359 0.3329 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 -1.5499 0.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 -2.0885 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -1.8053 -0.7624 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0498 -2.0177 -1.9665 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -0.6148 -0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 -0.3386 0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 0.0126 1.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0734 0.1642 2.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2183 0.2395 2.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -1.0470 3.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2294 -1.9631 2.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 -1.2391 1.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1035 -2.0633 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2553 -1.2201 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2166 -0.8421 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3299 0.0071 0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3067 0.4266 1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9851 -0.7354 2.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8693 -0.1887 3.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9013 0.7775 2.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8842 0.2569 1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8339 1.3897 1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8899 1.0389 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2852 0.6224 -0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3099 0.2843 -1.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2164 1.4612 -2.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0736 -0.9356 -1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0993 -1.2492 -2.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6152 -2.2987 1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3615 -2.2760 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5497 -3.8053 1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1694 -4.1062 -0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7958 -3.0170 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1835 -2.2607 -2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6080 -2.0538 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9403 -0.7097 -0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3743 -0.6212 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3221 1.3411 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7151 0.3814 -1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3844 -0.6510 -3.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0460 0.9227 -4.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2176 3.2060 -3.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4745 2.7199 -2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8482 2.8056 -3.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6656 2.9230 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5307 3.5873 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4323 4.3117 -1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4638 3.0176 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3745 2.4077 -2.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0192 0.3631 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2992 0.7000 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3134 -0.1287 0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2396 1.3587 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3454 1.5071 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2798 2.7523 0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4691 1.6061 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1173 1.8443 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6785 -0.4360 2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0496 -0.8612 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -2.2146 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4482 -3.2557 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 -2.7009 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 -1.1301 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0716 0.3475 -0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1587 -0.6365 -1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7765 0.8379 3.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9751 0.8683 2.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 -1.5781 3.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4148 -0.8876 4.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 -2.9273 2.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4203 -2.1775 1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -0.3363 1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0721 -0.9320 2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 -2.2409 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4798 -3.0007 0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8052 -0.3286 -0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7652 -1.8760 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 -1.7376 1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7122 -0.1350 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8165 -0.5832 -0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8519 0.9037 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0994 1.0303 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7822 1.0720 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5220 -1.3588 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2603 -1.4253 2.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1955 0.3631 3.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3161 -1.0058 3.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4734 1.0937 3.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3927 1.7049 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4110 -0.1329 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4825 -0.5667 2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2676 1.7628 2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2319 2.2256 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6130 0.2864 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4732 1.9780 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6196 1.4409 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6912 -0.3251 -0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7692 0.0404 -2.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1191 1.4955 -1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5064 1.4076 -3.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5826 2.3793 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3403 -1.7677 -1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5804 -0.7744 -0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0991 -1.1942 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8797 -2.2755 -2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9667 -0.5675 -3.4615 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 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 45 47 1 0 47 48 1 0 11 9 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 11 65 1 0 12 66 1 0 12 67 1 0 13 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 22 80 1 0 22 81 1 0 23 82 1 6 24 83 1 0 25 84 1 0 25 85 1 0 29 86 1 0 29 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 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 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 46119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 48126 1 0 M END