HMDB0048116 RDKit 3D TG(14:1(9Z)/20:2n6/16:1(9Z)) 153152 0 0 0 0 0 0 0 0999 V2000 2.5463 -0.0483 -3.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1893 -0.0695 -3.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6044 -1.4869 -3.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4582 -1.7973 -2.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0983 -3.1477 -2.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2363 -3.4899 -1.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1563 -2.5220 -1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4288 -2.7674 0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0838 -4.1028 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -4.3385 2.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2945 -4.3934 3.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3722 -5.5287 2.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 -5.7448 3.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7567 -4.7333 3.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4194 -4.8164 5.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -3.7003 3.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 -2.8777 3.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6015 -1.8147 2.4990 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3640 -2.3988 1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 -1.4580 0.5824 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9104 -2.0120 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8139 -3.3546 -0.3282 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7765 -1.5132 -1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7274 -0.3917 -1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7152 -0.4489 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1965 -0.1261 1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8206 1.3244 1.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3127 1.8179 2.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 3.3611 2.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 3.9798 3.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 4.7580 3.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8035 5.1184 2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3259 4.7407 2.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7978 5.4895 4.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3419 5.1819 4.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 5.9854 5.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7281 5.6129 6.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5518 -0.9270 2.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 0.3873 2.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6277 0.7169 3.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 1.4325 2.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8563 1.0573 2.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6814 2.3551 2.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1448 2.0830 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 1.3598 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1991 2.1557 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 1.4096 -1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3726 2.1804 -2.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 1.4874 -4.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2688 0.1716 -4.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8859 -0.9720 -4.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3743 -1.0694 -4.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9298 -1.6528 -5.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8388 -1.0906 -6.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4604 0.2125 -5.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9598 -0.0201 -5.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3276 -0.9943 -4.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9947 -0.4805 -3.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3649 -1.4871 -2.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9868 -1.0703 -3.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 0.6356 -3.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4414 0.3427 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 0.2683 -5.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5574 0.6677 -3.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3591 -2.1598 -4.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3626 -1.4893 -4.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5082 -1.7335 -1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 -0.9744 -1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -3.9687 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5582 -4.5468 -1.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7109 -1.5134 -1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 -2.5689 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1106 -1.9798 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 -2.6545 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0302 -4.1246 0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -4.9480 0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9378 -5.3350 2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1602 -3.6169 2.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -3.4226 3.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 -4.6084 4.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0096 -5.5185 1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 -6.4659 2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 -6.1043 4.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2838 -6.6831 3.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 -3.5341 3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9422 -2.3776 4.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.2064 3.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1673 -3.0696 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 -2.9534 0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -1.2306 -2.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3745 -2.4045 -1.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 0.5919 -1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 -0.2607 -2.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6192 0.2068 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1325 -1.4813 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4503 -0.8308 1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0990 -0.2753 1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9921 1.5340 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 1.9672 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3204 1.3634 2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9774 1.6379 3.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5815 3.4958 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 3.6821 2.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2992 3.7607 4.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 5.1724 4.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 4.6378 1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7877 6.2408 2.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 3.6637 2.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7895 5.0883 1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 5.2254 5.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8594 6.5893 3.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 4.1001 4.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 5.5300 3.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1513 5.7557 5.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 7.0565 5.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0855 5.5709 7.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5331 6.3333 6.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 4.6081 6.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 2.0553 3.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 2.1889 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 0.5314 3.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 0.5368 1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 2.8667 3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2831 3.0133 1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4362 1.5114 2.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6904 3.0586 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6614 1.2857 0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 0.3553 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1045 2.2693 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 3.1243 -0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7684 1.2648 -1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2108 0.4117 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 2.4560 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9224 3.1465 -2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 2.1403 -5.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9594 1.5121 -4.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1606 0.1305 -4.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -1.9198 -4.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -0.1246 -3.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5105 -1.7723 -3.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5514 -2.6493 -5.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1994 -1.6122 -7.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0933 0.7436 -4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3076 0.8254 -6.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4442 0.9760 -5.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2842 -0.4280 -6.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7949 -1.9774 -4.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4089 -1.2772 -4.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9545 -0.2073 -3.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6204 0.4578 -3.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3770 -1.8527 -2.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6201 -2.2926 -2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3340 -0.9719 -1.2858 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 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 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 18 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 17 85 1 0 17 86 1 0 18 87 1 1 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 25 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 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 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 37118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 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 59153 1 0 M END