HMDB0052825 RDKit 3D TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) 161160 0 0 0 0 0 0 0 0999 V2000 9.9375 5.8364 -4.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 5.1591 -4.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6150 3.8558 -4.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3853 2.7082 -4.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 2.6310 -2.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7057 2.1082 -2.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4675 1.0310 -1.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5118 0.2072 -1.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3878 0.2192 0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.8189 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9629 -2.1419 0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7543 -2.9111 0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -2.5466 0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2814 -1.1899 1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 -0.5778 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -0.0719 0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 -0.0460 2.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6674 1.3737 2.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 1.9106 3.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 1.1822 3.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 1.8315 2.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9619 3.2406 2.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 3.8061 3.8942 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7996 4.0842 2.1804 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 5.4382 2.5338 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3524 5.7064 3.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6385 4.8323 4.1148 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7962 4.8020 4.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6983 5.6450 4.5879 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0383 3.7910 5.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9328 2.7991 5.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2285 1.7343 7.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0853 0.7215 7.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3723 -0.3441 7.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4931 -1.6100 7.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3446 -1.9951 6.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 -2.9500 5.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4233 -4.1103 5.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7616 -4.6378 5.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 -4.8254 3.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9419 -5.9343 2.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2033 -7.2075 3.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5520 -7.6899 3.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6724 -8.8548 2.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5786 -9.7929 2.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5863 -9.9484 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7031 6.4451 1.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 6.2251 0.7679 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4039 5.1479 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 4.4764 -0.2656 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 4.9207 -0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 3.7126 -1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 2.4536 -1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 1.1956 -1.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 1.1825 -2.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 1.3624 -2.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 1.3830 -3.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 2.4199 -4.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5381 2.2944 -5.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7749 1.0855 -6.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 0.5954 -7.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2075 -0.5919 -7.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5962 -1.7625 -6.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -2.5867 -6.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -2.0391 -5.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2233 -0.9155 -5.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1796 -0.4338 -4.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8739 6.8371 -4.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6816 5.2625 -4.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2953 6.0571 -3.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1573 5.2092 -3.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 5.8200 -4.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8572 3.8634 -5.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 1.7869 -4.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8749 1.9885 -2.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 3.6019 -2.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 2.6988 -3.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 0.7411 -1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2525 -0.8587 -1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5335 0.3303 -1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 1.2194 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 -0.5845 2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5082 -2.3018 -0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -2.7782 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8001 -4.0031 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -3.2735 0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 -0.4512 1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -1.3594 2.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4242 -0.5672 -0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 0.3386 0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8367 -0.6174 2.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4848 -0.5333 3.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5698 1.9901 2.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5881 2.9822 3.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6863 0.1296 3.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9622 1.4183 4.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6822 1.2469 2.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4923 1.6465 1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2718 5.6535 3.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2901 6.7341 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0977 5.7551 2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0012 4.3675 6.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0320 3.3395 5.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 3.2480 6.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7089 2.3287 4.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1897 1.2451 6.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2237 2.2368 8.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 0.5085 6.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 1.3368 7.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -0.0914 9.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 -2.3653 8.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0866 -1.1226 5.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2702 -2.3802 5.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1967 -2.6728 6.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5757 -4.7797 5.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8299 -5.6176 5.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5902 -4.0626 5.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5641 -3.9070 2.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9123 -5.9428 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1263 -7.1169 4.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4142 -7.9358 3.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4131 -7.0275 3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7248 -9.1221 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9457 -10.8042 2.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6135 -9.5539 2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5525 -9.6048 0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3977 -11.0060 0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 -9.3101 0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5837 7.4456 1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5679 6.5372 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 5.8472 -1.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 4.8166 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8976 3.6814 -2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 3.9565 -2.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 2.5683 -0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3343 2.3721 -0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 0.9380 -2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 0.3776 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 1.9820 -3.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3979 0.1953 -3.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8388 2.3265 -1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1483 0.5703 -1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8407 1.6588 -2.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0571 0.3771 -3.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3877 3.4465 -4.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2719 3.2032 -6.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1629 0.2451 -5.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6401 1.3706 -7.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2547 1.3534 -8.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3782 -0.7756 -8.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0999 -2.4656 -7.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4335 -1.5641 -6.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9597 -3.1197 -6.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1179 -3.4679 -5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1202 -2.8823 -4.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1146 -1.8804 -4.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3899 -0.0566 -5.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 -1.2716 -6.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2361 -0.7019 -4.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9885 -0.9061 -3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 0.6572 -4.4406 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 1 26100 1 0 26101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 62150 1 0 63151 1 0 63152 1 0 64153 1 0 64154 1 0 65155 1 0 65156 1 0 66157 1 0 66158 1 0 67159 1 0 67160 1 0 67161 1 0 M END