HMDB0049541 RDKit 3D TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) 167166 0 0 0 0 0 0 0 0999 V2000 1.5426 1.0848 -0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4373 2.3539 -1.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 2.5727 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 3.7189 -3.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 5.0912 -2.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 5.3513 -2.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2811 5.8476 -0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2317 6.2892 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 5.7247 1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 5.1622 2.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 4.8718 2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 3.4831 2.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8862 2.4465 2.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 2.2045 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 1.6860 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0089 0.4095 0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9077 -0.4012 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4003 -1.5329 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8113 -2.1131 1.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0055 -1.7004 2.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7942 -1.0144 3.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -1.5699 4.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -2.2579 5.6526 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6031 -1.3125 4.7636 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6706 -1.6794 5.7545 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7422 -2.7704 5.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9069 -2.6578 4.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 -3.7534 4.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0894 -4.7052 5.0406 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 -3.8958 3.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2317 -2.8578 2.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7534 -3.0098 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5976 -4.3542 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 -4.5441 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0122 -4.7477 -1.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 -4.8014 -2.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1546 -6.1039 -3.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0892 -6.2432 -4.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 -5.1204 -5.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -5.2535 -6.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 -5.4302 -7.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 -5.5191 -8.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2933 -4.4707 -9.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -4.2950 -10.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 -3.9440 -10.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 -2.6860 -9.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -0.4025 6.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 -0.4120 7.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 0.8511 7.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 1.8366 7.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 1.1692 8.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7091 0.7065 8.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4176 1.0689 7.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5849 2.4922 6.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 2.5835 5.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6961 2.0577 5.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4358 2.0303 4.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8287 1.5126 4.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6436 1.3062 3.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7969 2.4952 2.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3449 2.5231 1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6629 1.3602 0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4064 0.7571 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5438 -0.4334 -0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2062 -1.1535 -1.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3742 -2.3327 -2.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9938 -1.9148 -2.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 0.4480 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 0.5460 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8054 1.4638 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 2.0470 -2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 3.1546 -1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 2.6637 -1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1173 1.5969 -2.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0166 3.6161 -3.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 3.6589 -4.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6991 5.3303 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9479 5.8049 -3.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 5.0810 -2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 5.9526 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0812 7.4207 0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 6.2048 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9636 5.8233 1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4239 4.8259 3.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 5.6162 2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5586 4.8383 1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 3.4290 3.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9126 1.5058 2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4037 3.2094 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6514 1.6134 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5707 2.2938 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0612 0.1739 0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3463 -0.8395 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0356 0.1319 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4509 -2.0277 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2219 -2.9910 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5066 -2.7343 2.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8214 -1.2612 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 0.0569 3.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 -0.8411 4.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -2.1217 6.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 -2.9808 6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -3.7104 5.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -4.9445 2.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9434 -3.8497 3.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 -1.8630 2.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 -2.8023 1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7696 -3.0186 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6786 -2.1525 0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4631 -4.4425 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8032 -5.1433 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5983 -4.5122 0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 -4.8869 -2.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2268 -4.0372 -3.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 -4.3898 -2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -7.0271 -2.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 -7.2500 -5.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 -4.1169 -5.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9345 -5.2113 -6.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1705 -5.2028 -5.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1515 -5.5385 -8.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 -5.7682 -7.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0808 -6.5137 -9.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3262 -4.6776 -9.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 -3.4786 -8.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6185 -5.2770 -11.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -3.5652 -11.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7194 -4.7634 -10.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4145 -3.6300 -11.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 -1.8181 -10.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 -2.8932 -8.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 -2.3571 -9.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 0.2496 6.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 0.2461 5.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 0.6768 9.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7581 2.2555 8.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3365 1.1138 9.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 -0.3966 8.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 0.5754 7.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 0.5643 6.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2462 3.0521 7.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 3.0400 6.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7174 1.9707 4.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2836 3.6325 5.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3419 2.7362 6.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7683 1.0770 6.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 1.3995 3.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5581 3.0462 3.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7325 0.5030 5.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2998 2.1788 5.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2967 0.3875 2.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6941 1.0483 3.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2837 3.4003 2.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4732 3.4241 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2466 0.6242 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7087 1.7831 0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3850 0.3475 -0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4872 1.4916 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5692 -0.0689 -1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4653 -1.1073 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2854 -0.4721 -2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1764 -1.5149 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2854 -2.9900 -1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8521 -2.9341 -3.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5652 -2.6375 -3.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1381 -0.9622 -3.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3362 -1.7966 -1.9976 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 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 1 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 1 0 59 60 1 0 60 61 2 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 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 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 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 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 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END