HMDB0048316 RDKit 3D TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) 149148 0 0 0 0 0 0 0 0999 V2000 -0.5941 -6.9169 -7.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 -5.6376 -7.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5258 -4.5074 -8.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -3.4857 -7.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9751 -3.3551 -6.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 -2.1158 -5.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 -1.1461 -5.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -1.1768 -4.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7883 0.0510 -5.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2818 0.9418 -4.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2248 0.7656 -2.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3894 1.8392 -2.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7652 2.6920 -1.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0831 2.7217 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1978 2.3999 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5032 3.1505 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0069 3.1782 1.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4374 1.7892 1.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0932 1.8657 1.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5898 0.4702 1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -0.4532 1.5383 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9096 0.0593 1.6861 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 -1.3831 1.5755 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6675 -1.8731 2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8431 -1.5623 3.4018 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -0.3833 3.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 0.6394 3.3702 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8027 -0.3640 4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4099 0.9050 4.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8278 1.7947 5.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5834 2.4950 5.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 3.5251 4.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 4.2091 3.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 4.0637 3.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5728 3.6387 2.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9684 3.2939 1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5063 3.2296 0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2106 4.1162 -0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 5.1085 -0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5187 5.6346 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0731 5.6896 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3714 5.2881 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 4.6439 -1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5236 5.5009 -3.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9979 -1.6215 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -2.8913 -0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -3.9128 0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6173 -3.7789 1.5628 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1598 -5.2400 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8094 -5.8753 -0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -6.0951 0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -6.7264 0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2246 -5.9663 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 -4.5881 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -4.6138 1.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 -5.3841 1.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5093 -4.8660 2.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7771 -3.4704 2.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 -3.5268 4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 -2.1341 4.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4013 -1.2167 4.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -7.3988 -8.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4473 -7.6401 -7.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6791 -6.7264 -8.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3482 -5.6145 -6.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 -5.7003 -8.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 -4.4957 -9.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 -2.6946 -8.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 -4.2177 -5.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -3.4716 -5.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7949 -2.0274 -6.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -0.2440 -4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7505 -2.0116 -4.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0319 -1.1969 -3.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8195 0.1497 -6.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7557 1.8525 -4.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9932 -0.2065 -2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3228 0.9167 -2.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 1.9436 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 3.4534 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5308 3.7957 -0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8351 2.1221 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3155 2.4215 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 1.2721 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7865 2.6796 2.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9273 4.1932 1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6838 3.5759 2.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5064 3.8276 1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7537 1.1700 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7303 1.2958 2.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 2.4027 2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4454 2.3994 0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 -1.8432 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 -1.5892 3.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 -3.0014 2.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7362 -1.0202 5.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5262 -0.9866 3.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8199 1.3843 3.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4338 0.5858 5.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 1.1170 6.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6448 2.5035 6.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.7270 5.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4017 2.9102 6.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0658 3.8448 4.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 5.0076 3.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 5.1985 3.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7967 3.6703 4.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 3.6112 1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 2.9838 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8768 3.4685 1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2138 2.2005 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7715 3.8816 -1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 5.6747 -1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 4.9906 1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 6.6449 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 6.1558 1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 5.4385 -0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7873 4.1564 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1117 3.7353 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9736 5.0259 -3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7872 6.5605 -2.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5879 5.4959 -3.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -1.1231 -0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9453 -0.9531 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 -5.0565 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -5.8681 0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2786 -5.1865 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -6.8050 -1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0785 -5.1428 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 -6.7895 1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8492 -7.7584 0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3526 -6.8420 1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 -5.9049 -1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -6.5490 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3015 -3.9007 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 -4.1687 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 -4.9719 2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -3.5648 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3388 -6.4378 1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3945 -5.5347 2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9389 -2.7779 2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6128 -3.0229 2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2043 -4.1260 4.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4769 -3.9435 4.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9844 -2.1851 5.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4198 -1.6610 3.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4421 -1.7694 4.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3398 -0.6427 5.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5232 -0.4546 3.7395 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 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 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 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 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 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 61149 1 0 M END