HMDB0049225 RDKit 3D TG(18:1(11Z)/14:1(9Z)/18:2(9Z,12Z)) 153152 0 0 0 0 0 0 0 0999 V2000 -4.6330 1.2741 -8.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8978 2.7556 -8.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 3.4017 -10.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6644 3.3077 -9.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2881 4.0326 -8.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6901 3.5120 -7.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2795 2.1161 -7.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 1.5526 -6.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6221 2.2548 -4.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 2.1718 -4.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2835 0.7598 -4.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7664 0.6571 -3.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1245 -0.7829 -3.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 -1.0443 -3.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.3540 -4.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.9549 -2.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -1.2233 -1.5783 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0950 -2.4216 -0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5118 -3.5326 -1.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -4.7106 -0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7305 -4.8382 0.4189 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7048 -5.8813 -1.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -5.6594 -1.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8257 -5.7191 0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3614 -5.3414 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1812 -3.8817 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1032 -2.9984 0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 -1.5704 0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4443 -1.0619 0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6872 -0.0026 1.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 0.7881 2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 2.1649 1.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 3.2541 2.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2327 3.2818 3.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 4.1111 4.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 5.5062 3.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7252 6.4141 4.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 5.9616 4.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8436 -0.0606 -0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2683 0.5171 0.1809 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 0.1221 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5112 -1.0005 1.8103 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3587 0.9773 2.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0994 0.1298 3.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3773 0.8765 4.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1522 0.0258 5.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 -1.2030 5.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 -2.0485 6.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -3.2907 6.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 -3.4487 6.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 -2.9660 5.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 -3.3417 5.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0726 -2.5015 5.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -1.0590 5.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6695 -0.5397 3.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5453 0.9459 3.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2717 1.5342 2.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7557 1.2159 2.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3585 1.7958 3.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6753 0.9565 -9.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4381 0.7232 -9.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 0.8854 -7.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0072 2.9449 -9.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5712 3.2819 -8.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4533 3.0024 -11.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4685 4.4892 -10.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 2.2722 -9.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 3.8691 -10.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5411 5.1095 -8.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 4.1777 -6.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 2.0160 -7.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 1.4691 -8.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0729 1.7504 -6.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8667 0.4641 -6.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 1.7134 -4.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 3.3033 -5.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 2.7531 -3.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 2.6875 -5.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 0.3176 -3.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1067 0.1916 -5.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3174 1.0512 -4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 1.3028 -3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3605 -1.1753 -3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 -1.3443 -4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8308 -1.5380 -2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9818 -2.7460 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 -2.2125 0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 -6.8129 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9072 -5.8259 -2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6719 -6.4741 -1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 -4.7063 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -6.7959 0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5218 -5.1426 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2476 -5.9597 -0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1271 -5.4896 1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8532 -3.5376 0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 -3.7680 -1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -3.2483 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 -2.9966 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6515 -0.8913 0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 -1.6778 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 -1.5341 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7142 0.3388 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0514 0.7746 3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 0.4417 2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 2.3078 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 4.2259 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 2.3483 4.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 3.8853 3.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7578 3.6146 4.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 4.0941 5.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0253 5.4998 2.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 5.9314 4.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 7.4143 4.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 6.5151 5.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 6.7454 4.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3022 4.9839 4.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 5.7894 5.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1811 0.7107 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8689 -0.4608 -0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 1.7517 2.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 1.4673 2.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0521 -0.2863 4.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -0.6949 3.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3947 1.2435 4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9936 1.7401 5.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 -0.3135 6.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5738 0.5716 6.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 -0.8258 5.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -1.8069 4.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1507 -2.2821 7.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -1.3834 7.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9357 -4.0048 6.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6002 -3.8905 7.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -4.5528 6.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 -2.9591 7.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 -3.5362 4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 -1.8921 5.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3142 -4.4250 5.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1407 -2.8786 5.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9799 -0.5996 5.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -0.6071 6.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7152 -0.8709 3.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1627 -0.9792 2.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 1.2077 3.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8933 1.4498 4.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8768 1.2081 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1863 2.6298 2.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2108 1.7104 1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9549 0.1387 2.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4732 1.6691 3.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1990 2.8903 3.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9993 1.3055 4.8703 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 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 17 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 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 1 0 51 52 1 0 52 53 2 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 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 6 18 86 1 0 18 87 1 0 22 88 1 0 22 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 30103 1 0 31104 1 0 31105 1 0 32106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 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 59153 1 0 M END