HMDB0051788 RDKit 3D TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) 183182 0 0 0 0 0 0 0 0999 V2000 3.7189 0.1154 -1.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 -0.0110 -3.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6787 0.7220 -3.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7747 0.1681 -2.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5759 0.8838 -2.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4382 0.3539 -1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0219 0.9538 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8561 2.4139 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 2.5719 1.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9302 3.2231 2.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2381 3.8868 2.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1467 5.3391 2.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4235 6.2453 1.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8642 6.0035 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 6.6228 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2457 6.0142 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3053 4.5105 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4150 4.0439 0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3890 3.3321 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5633 2.8738 -1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6869 1.3458 -1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5437 0.6844 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6073 1.3383 -0.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4482 -0.6998 -0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4016 -1.3578 -0.1455 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6493 -2.3032 -0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9698 -1.7438 -2.0764 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1448 -2.6216 -2.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 -3.8231 -2.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3652 -2.2515 -3.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 -2.4955 -3.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4853 -3.9326 -3.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -4.0372 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 -4.4294 -2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3546 -4.8509 -1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -6.2702 -1.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 -6.7215 -0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4293 -5.8960 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 -6.0390 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -6.5885 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 -7.2458 1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1715 -6.7341 2.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2191 -6.2574 3.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1422 -6.0791 4.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -4.5996 4.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1606 -4.2811 5.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 -2.7867 6.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3358 -2.3474 7.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 -2.0045 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9053 -2.7580 1.7451 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7344 -2.2288 2.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 -0.9937 2.0238 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5848 -2.9927 2.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3825 -2.6004 1.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0874 -3.2005 2.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 -2.8616 3.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6811 -3.4564 4.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8109 -3.0001 3.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9646 -1.4932 3.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 -1.0480 2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2266 0.4481 2.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4237 1.0303 1.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2505 2.5465 1.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3433 3.2982 1.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 4.0913 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 4.3176 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 5.7496 -0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 6.1888 -0.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 6.0662 -2.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9038 4.7479 -3.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6734 4.9208 -4.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 5.6410 -4.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 4.8389 -4.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7895 -0.1712 -1.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 -0.5766 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6468 1.1420 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8524 -1.0909 -3.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 0.3695 -3.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8838 1.7912 -2.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 0.4998 -4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2704 0.2602 -1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6568 -0.9052 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4758 1.9545 -2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0232 0.6039 -3.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 -0.7468 -1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6641 0.3831 0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 2.7844 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7405 2.9784 -0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 2.1216 1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4599 3.2959 3.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8919 3.4062 3.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6904 3.6535 1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 5.6186 3.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 7.2975 1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7942 4.9803 -0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0637 6.5455 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1869 7.7235 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1548 6.5900 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5732 4.2930 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3698 4.0196 -0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3169 4.3669 1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1681 3.0380 0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5866 3.2275 -1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8613 3.1486 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6647 1.0027 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6479 1.0858 -2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7277 -0.5131 0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9317 -2.9457 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3221 -3.0953 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 -1.1517 -4.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8406 -2.7533 -4.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4342 -1.8085 -3.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 -2.1639 -4.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9436 -4.2570 -2.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 -4.5050 -4.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 -3.7496 -4.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8283 -4.4748 -3.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8607 -4.1619 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 -4.7786 -1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1144 -6.9266 -2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 -7.8030 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -4.8550 0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4244 -6.3420 1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8451 -5.5687 -1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7615 -6.5842 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1988 -8.3554 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 -7.1288 1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1645 -6.7665 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 -5.9126 3.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1464 -6.3776 3.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -6.6558 5.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0493 -3.9499 3.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1979 -4.4062 5.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -4.5718 5.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 -4.7891 6.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0466 -2.2030 5.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 -2.6125 6.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -1.2529 6.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 -2.8390 7.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7697 -2.4798 8.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7284 -2.7116 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3671 -1.2164 1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4501 -2.5668 3.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7692 -4.0561 2.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6067 -2.8800 0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2808 -1.4999 1.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 -4.3043 2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3101 -2.7837 1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -3.3700 4.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6279 -1.7731 3.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9182 -3.3028 5.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6262 -4.5809 3.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7178 -3.5391 3.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 -3.3162 2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 -1.0812 2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 -1.1725 4.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1065 -1.5118 2.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0842 -1.3796 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3031 0.8300 1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 0.8674 3.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3045 0.7651 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6775 0.6355 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 2.7742 1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2544 2.7623 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3391 3.1794 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1197 4.6613 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2969 4.1848 -1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1523 3.6669 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 6.0553 0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4227 6.4020 -0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 5.6973 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 7.2889 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 6.7230 -2.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0547 6.6309 -2.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9387 4.2234 -2.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 4.0199 -2.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 3.9674 -5.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5297 5.5813 -4.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 6.6545 -4.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1999 5.7347 -5.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 5.0426 -4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 3.7670 -4.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 5.1856 -3.2238 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 2 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 1 26108 1 0 26109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 72179 1 0 72180 1 0 73181 1 0 73182 1 0 73183 1 0 M END