HMDB0046860 RDKit 3D TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) 175174 0 0 0 0 0 0 0 0999 V2000 1.4989 1.9997 -7.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 2.7949 -6.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 3.7908 -7.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 5.0719 -7.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 5.6713 -5.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 6.3573 -5.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1503 6.0645 -3.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3322 5.0080 -3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 5.6305 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5473 5.3772 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 4.4437 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 3.6560 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3724 2.3677 -0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 1.3653 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8766 0.5905 -1.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0201 -0.5703 -1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2376 -0.5427 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2531 -0.2402 1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 0.1254 1.7621 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5005 -0.3837 1.6773 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5893 -0.1000 3.0611 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8775 -1.3997 3.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -2.3336 3.5105 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8766 -3.6090 4.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8137 -3.8831 4.8659 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -4.6125 3.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1418 -5.8365 4.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -5.8829 5.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -5.0807 7.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5777 -3.6382 7.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 -3.3972 6.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 -1.9483 6.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 -1.7268 6.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2803 -2.2670 5.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -1.6557 4.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 -1.0064 3.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 -0.7870 3.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8476 -1.4381 1.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2911 -1.3194 1.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5548 -1.9658 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2141 -3.4234 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5365 -3.9073 -1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8035 0.7633 3.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9207 1.9231 2.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1575 3.0397 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1409 3.1553 3.1537 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 4.1237 1.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 5.3468 1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3553 6.4222 0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4194 6.2782 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1854 5.2129 -1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6422 5.1323 -1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3491 4.0222 -1.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8232 2.6494 -1.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6238 1.6512 -2.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 0.2223 -2.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7447 0.0885 -2.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1658 -1.2846 -2.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8267 -2.3311 -3.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1195 -3.6598 -2.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6369 -4.7779 -3.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9903 -5.3136 -3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4461 -5.9629 -2.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 -5.2548 -1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6803 -4.1827 -1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7654 -3.5343 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4389 -2.9146 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4825 2.4314 -7.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4299 0.9222 -7.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8622 1.9873 -8.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 3.1439 -5.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 2.0157 -6.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 3.4672 -8.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 5.7758 -7.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 5.0344 -5.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6947 6.5401 -6.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 7.1623 -5.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 6.6604 -3.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 4.7566 -3.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7973 4.0875 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8052 6.4209 -2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 6.0150 -0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 3.8420 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9193 5.0934 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1846 4.1960 -1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2028 1.8958 -1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0135 0.7914 0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6402 1.9774 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3718 1.3705 -2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 0.2744 -1.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7445 -0.9410 -2.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -1.4768 -0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 0.1827 -0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 -1.5309 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6979 0.2998 3.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9111 -1.7257 3.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7359 -1.1203 4.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -4.1776 3.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -4.8769 2.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6912 -6.6307 3.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9217 -6.3039 4.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -6.9912 6.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -5.9641 5.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8814 -5.1405 7.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6033 -5.5299 8.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4376 -3.3462 8.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0761 -3.0005 6.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4283 -3.9380 5.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 -3.9063 7.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2157 -1.6083 7.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7438 -1.3139 6.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 -0.6463 6.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4104 -2.2391 7.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2338 -3.3683 5.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3616 -2.0321 5.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4309 -1.7210 4.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4388 -0.5586 2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -1.1978 3.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7686 0.2889 2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5055 -2.5015 1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2629 -0.9474 0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5526 -0.2624 1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9314 -1.8427 2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6255 -1.8602 -0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 -1.4244 -0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1721 -3.6654 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8644 -4.0139 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3922 -3.3270 -1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7973 -4.9715 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6618 -3.7092 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7405 0.1514 3.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 1.0359 4.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 3.7116 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6827 4.4119 1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 5.1086 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 5.7224 2.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 7.3811 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 6.7701 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 6.1902 -1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7211 7.2968 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 5.5932 -2.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7254 4.2311 -1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 5.0135 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1156 6.0869 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4318 4.1032 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3404 4.2011 -2.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8299 2.4299 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7685 2.6293 -1.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4697 1.8914 -3.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6845 1.7139 -2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7937 -0.4036 -2.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3877 -0.0025 -1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5767 0.5258 -3.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 0.7477 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1042 -1.2044 -2.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0434 -1.6114 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -2.4549 -3.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 -2.0934 -4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1068 -3.7772 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0501 -3.4811 -3.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9275 -5.6633 -3.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4581 -4.4959 -4.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1156 -6.0837 -4.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7816 -4.5516 -3.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7523 -6.8533 -2.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4537 -6.4999 -2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7104 -4.8259 -0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -6.0517 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6518 -4.6735 -1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4780 -3.4234 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9521 -4.3202 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5722 -2.7666 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5591 -2.0293 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7385 -3.6477 1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0158 -2.5351 -0.3791 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 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 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 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 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 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 1 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 67175 1 0 M END