HMDB0050259 RDKit 3D TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -5.1919 6.7571 -1.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2077 5.7489 -0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9339 4.7471 -1.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2026 3.4850 -1.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7904 2.8597 -0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0664 2.2569 -0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3169 0.9882 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3517 -0.0211 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8818 -0.8027 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3986 -0.9311 1.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1394 -0.2240 2.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4777 0.5580 3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8775 0.3826 4.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 -0.6170 4.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6086 0.0948 5.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0863 -0.3904 6.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5799 -1.6043 7.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 -2.5625 7.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4678 -3.6960 6.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 -4.1511 5.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5475 -4.1694 4.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 -4.9746 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2841 -5.7411 4.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0764 -4.8650 2.5268 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9985 -5.5653 1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -5.1912 0.4979 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0683 -5.7295 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0626 -5.6514 -1.6544 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0335 -6.0620 -2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1018 -6.4457 -1.7607 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -6.1225 -3.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2301 -6.2074 -4.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1385 -5.0347 -4.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6601 -3.8126 -5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6671 -2.7047 -5.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 -2.0755 -3.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -1.2119 -3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 -0.1340 -4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 0.1259 -5.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -0.5971 -5.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 0.4759 -5.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1452 -0.1432 -5.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2541 0.8978 -5.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1573 1.8712 -6.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2507 2.8867 -6.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6057 2.2379 -6.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6328 3.3628 -6.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2854 -5.9122 0.0571 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 -5.1252 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 -3.8658 -0.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 -5.6475 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 -4.5314 -1.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 -3.6092 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8377 -2.5237 -0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1100 -1.5243 0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7296 -2.1555 1.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1853 -2.2106 2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8656 -1.6377 3.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 -0.6526 4.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5087 0.5793 4.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9895 1.1388 2.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5938 1.6191 3.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3086 2.8645 2.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 3.9048 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 4.4824 1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 5.7200 0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6259 6.7422 1.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 7.3736 1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4693 7.3292 2.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 6.6746 4.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6747 7.7392 5.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1884 6.5017 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9615 7.7743 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1259 6.6971 -2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6355 5.4193 0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2621 6.3447 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4834 5.1219 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9672 2.8093 -2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0342 2.1346 -0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9336 3.5612 0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8828 2.9212 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3063 0.5910 -1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 0.2775 -0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3297 -0.7979 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8165 -1.3539 0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9007 -1.5553 2.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 -0.9663 2.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7897 0.4361 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2473 1.3133 3.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 1.0221 5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -1.0192 3.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1353 -1.4384 5.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 0.9710 4.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 0.1312 6.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5379 -1.2962 8.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5481 -1.9471 7.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4842 -2.2616 7.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4371 -4.2944 6.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 -5.2558 6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5814 -3.6685 6.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 -3.1548 3.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5225 -4.5352 3.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 -5.4128 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7158 -6.6622 1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2045 -4.1134 0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 -6.8548 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 -5.2394 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -5.3528 -4.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6403 -7.0957 -4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0808 -6.4163 -5.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 -7.1486 -4.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1396 -5.3360 -4.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3652 -4.7546 -3.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 -4.0751 -6.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3436 -3.5264 -4.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 -1.9111 -5.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 -3.1089 -5.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 -1.3512 -3.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9951 -2.7446 -2.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7236 -0.7823 -2.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -1.7985 -3.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4692 0.4832 -4.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 0.9674 -5.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 -1.3127 -4.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8204 -1.1143 -6.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6389 0.8379 -4.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5976 1.2682 -5.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2506 -0.6375 -6.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2737 -0.9061 -4.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1447 1.4538 -4.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 0.3314 -5.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3096 1.3084 -7.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1613 2.3860 -6.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1466 3.4114 -5.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1963 3.6485 -7.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7618 1.6569 -7.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7636 1.5544 -5.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5266 3.0585 -5.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1862 4.2737 -5.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9781 3.5351 -7.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4611 -6.2111 -1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -6.3000 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 -5.0400 -1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 -3.9558 -2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0334 -3.2301 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4676 -4.2000 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 -2.0085 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7656 -3.0121 -0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1848 -0.9603 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8150 -0.7765 0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7418 -2.6127 1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7116 -2.7077 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2319 -1.4273 2.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3109 -2.5504 3.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2652 -0.9832 5.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 1.2752 5.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0412 0.4277 1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 1.9282 2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8498 0.8689 3.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 3.1628 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3157 3.6665 2.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 4.6905 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9733 3.8190 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4839 6.0825 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 6.5067 2.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2902 7.6053 1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9351 7.9110 1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 7.8236 2.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6727 6.1428 4.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9344 5.9005 4.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6431 7.2137 6.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 8.3641 5.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6012 8.3384 5.2580 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 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 1 0 29 30 2 0 29 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 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 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 26 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 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 2 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 1 27106 1 0 27107 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 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 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 57152 1 0 58153 1 0 58154 1 0 59155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 66164 1 0 67165 1 0 67166 1 0 68167 1 0 69168 1 0 70169 1 0 70170 1 0 71171 1 0 71172 1 0 71173 1 0 M END