HMDB0052949 RDKit 3D TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 155154 0 0 0 0 0 0 0 0999 V2000 2.3483 -6.2522 -5.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 -4.8085 -6.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 -4.0361 -6.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8074 -4.0629 -4.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 -3.2876 -4.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 -2.2227 -3.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9016 -1.6664 -2.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -0.2278 -3.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7031 0.7212 -2.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2225 2.1032 -3.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 3.1438 -3.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8514 4.4995 -3.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6041 5.0728 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3447 4.4336 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1488 4.0210 -4.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 4.2520 -2.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 3.6468 -2.8169 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1253 4.3016 -2.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 5.6435 -2.8277 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5106 6.2259 -2.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 5.5169 -1.6855 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9485 7.5861 -2.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4243 8.2166 -1.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4496 7.3131 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3358 6.7989 0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 7.0693 1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 5.8122 1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2957 5.2271 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 5.7404 3.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 5.9610 4.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 5.2167 5.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4146 4.1457 6.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9272 4.4645 7.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7173 3.6720 8.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 2.4189 8.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7887 1.2335 8.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 0.2049 8.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 0.0683 6.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6213 -1.1774 6.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 -1.4361 5.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 -0.3094 4.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4348 -0.6467 3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 2.2105 -2.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1598 1.5960 -2.5474 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6155 1.3596 -3.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9026 1.7045 -4.8136 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9142 0.7156 -4.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2722 -0.4161 -3.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2886 -1.5345 -3.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6945 -2.6974 -2.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 -2.2748 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0951 -2.7777 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 -3.8241 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 -3.3184 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9762 -3.8949 1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -5.1270 1.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -4.8725 3.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2544 -5.0734 4.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 -5.5962 3.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9341 -6.8779 4.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0791 -8.0551 4.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0138 -8.5640 2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0831 -9.7709 2.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -6.6555 -6.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -6.3742 -4.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5274 -6.7867 -6.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1249 -4.7719 -7.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -4.2896 -5.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3356 -2.9765 -6.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3786 -4.4520 -6.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9656 -5.1588 -4.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -3.7452 -3.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9749 -3.6392 -4.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0238 -1.7032 -3.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9623 -2.2109 -2.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 -1.6900 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3254 -0.2668 -4.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6739 0.0372 -2.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6266 0.4240 -3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9117 0.6975 -1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 2.3248 -2.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9576 1.9920 -4.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5497 3.1608 -1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2033 2.8000 -3.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9022 4.6079 -4.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6879 5.1973 -3.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 6.1606 -3.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 5.1414 -1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1573 3.5047 -3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 3.7424 -2.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2653 4.1982 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 8.1557 -3.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7723 7.6167 -3.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 8.3327 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9132 9.1994 -1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3323 7.0728 -1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1033 6.1310 0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4613 7.8021 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6758 7.5062 2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0246 5.3499 0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 4.2795 2.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 6.8153 3.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6287 5.1807 4.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 6.7455 4.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6242 5.3808 6.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 3.9762 5.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7681 3.2193 6.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5034 5.3837 7.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1174 3.9401 9.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 2.4975 9.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3236 2.2263 7.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2122 1.2840 10.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6385 -0.5937 8.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3469 -0.1227 6.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 0.9088 6.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -2.0383 7.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -1.2128 7.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8492 -1.5884 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -2.3450 5.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7732 0.6196 4.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 -0.0376 5.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0649 -1.6140 3.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 0.2058 2.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5595 -0.7092 3.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 2.2206 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 1.6119 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7287 1.4800 -4.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9261 0.4251 -5.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3477 0.0198 -2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2778 -0.7858 -3.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2777 -1.1660 -2.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2087 -1.9249 -4.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 -3.5096 -2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7629 -2.9220 -2.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 -1.4764 -0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2143 -2.4313 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1035 -4.3074 -1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3538 -4.6796 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 -2.3814 -0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9554 -3.4153 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5786 -5.8235 1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 -5.7030 1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -4.4678 3.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 -4.8431 5.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 -4.8388 4.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 -5.5942 2.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 -6.6374 5.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9719 -7.1410 4.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0347 -7.9508 4.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -8.9045 4.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0343 -9.0088 2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -7.8498 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9453 -9.4935 2.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4719 -10.5980 3.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0118 -10.1724 1.6495 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 2 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 2 0 14 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 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 17 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 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 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 6 18 90 1 0 18 91 1 0 22 92 1 0 22 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 63155 1 0 M END