HMDB0044601 RDKit 3D TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6) 169168 0 0 0 0 0 0 0 0999 V2000 5.0970 -8.4377 5.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5172 -7.6549 6.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9523 -6.2692 6.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -5.2454 6.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -5.3401 6.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 -4.7483 4.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3683 -3.6965 4.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9548 -2.9664 6.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 -2.9187 6.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1153 -1.7298 6.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4089 -0.4309 6.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8039 0.4034 7.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3105 1.6441 7.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4983 2.2481 5.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 2.7074 5.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 3.9564 5.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0567 4.9092 5.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 5.2565 3.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8194 5.9988 3.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2671 5.6634 2.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8758 6.4567 1.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2782 5.7299 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1069 4.4482 0.7263 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8617 6.2268 -0.5981 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 5.3737 -1.5800 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8291 5.3834 -1.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 6.5726 -1.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 6.4260 -2.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6786 5.2392 -1.9125 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1608 7.5061 -2.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 7.0955 -3.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2049 6.0449 -2.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 5.6535 -3.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 4.5445 -3.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1802 3.9212 -3.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 3.3520 -5.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7437 2.0975 -5.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2855 1.0410 -4.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3534 0.3268 -5.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3643 -0.9422 -5.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -1.8701 -5.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8357 -3.0324 -4.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4794 -3.4710 -3.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4689 -2.9286 -2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 -2.6870 -0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1132 -1.7272 -0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6869 -0.3269 -1.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7880 0.6742 -1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9477 5.4750 -2.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3298 4.4745 -3.6988 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4335 4.0501 -4.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1933 4.6046 -5.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5523 2.8507 -5.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 1.6081 -4.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 0.3106 -5.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4493 -0.8039 -4.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9428 -2.1716 -4.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 -2.4146 -3.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 -2.0494 -2.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6261 -2.7692 -1.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0234 -2.2969 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -2.8798 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3621 -4.3552 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3809 -4.8389 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4975 -6.3305 1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1983 -7.1111 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 -8.5958 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8543 -7.8087 4.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3055 -8.7082 4.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6127 -9.3487 5.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9936 -8.1064 7.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4544 -7.8659 6.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0581 -6.0879 6.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -4.2418 6.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -6.4424 6.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1947 -5.0136 7.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3593 -5.1930 3.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -3.2529 4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4869 -2.0227 6.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 -3.5205 7.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 -3.7980 6.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 -1.7017 6.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7084 -0.5429 6.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 -0.0289 5.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6707 -0.0287 8.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5529 2.1238 8.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7173 3.0064 5.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 1.5154 5.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6623 1.9668 5.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2169 4.2224 5.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1931 4.7660 5.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 5.8887 5.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6068 4.2794 3.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 5.8614 3.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5102 5.9921 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7846 7.1333 3.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4196 4.6081 2.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 5.9734 3.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6536 7.5013 1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9476 6.2616 1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5196 4.3040 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 4.6504 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3413 4.9813 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5893 8.3477 -2.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6428 7.9015 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8462 6.7676 -4.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 8.0042 -3.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 6.4389 -1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7657 5.1080 -2.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9363 6.5778 -3.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 5.4021 -4.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4831 4.9308 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3569 3.7364 -2.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 3.2996 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9093 4.7594 -4.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2783 4.0481 -5.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3563 1.7585 -6.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4094 0.4779 -4.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7144 1.5236 -3.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2234 0.9111 -5.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2446 -1.3767 -6.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -2.2885 -6.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4867 -1.4765 -4.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6520 -3.5920 -4.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0410 -4.4100 -2.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8915 -2.0971 -2.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -3.7555 -2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3468 -3.6650 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 -2.3713 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 -1.5773 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9996 -1.9980 -1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7871 -0.0062 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3105 -0.4792 -2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3409 1.6347 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5351 0.3008 -0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3171 0.9146 -2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 6.4510 -3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0516 5.3551 -2.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6113 2.8770 -4.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3036 2.9300 -6.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 1.5960 -5.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7088 1.6899 -3.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 0.4066 -4.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 0.2533 -6.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -0.7966 -5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0401 -0.4652 -3.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 -2.4177 -5.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7429 -2.8975 -4.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6517 -3.4900 -3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 -1.8557 -3.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5719 -2.3579 -1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -0.9624 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4584 -2.4305 -2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 -3.8440 -1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1486 -1.1814 -0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1558 -2.4655 0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1095 -2.5082 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -2.4224 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3779 -4.9203 -0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3909 -4.5519 0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5757 -4.2939 2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3191 -4.6232 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8386 -6.6355 2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5364 -6.6147 1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0982 -6.9616 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7353 -6.7791 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -9.1508 -0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 -8.7625 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4424 -8.8126 0.3750 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 1 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 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 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 1 0 59 60 1 0 60 61 1 0 61 62 1 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 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END