HMDB0296598 RDKit 3D DG(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0/21:0) 130129 0 0 0 0 0 0 0 0999 V2000 -18.6928 0.4236 -4.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3731 0.4933 -3.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7335 0.8582 -2.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4933 0.1346 -1.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8487 -1.1339 -1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6379 -1.4329 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8104 -0.7022 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9905 0.7649 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7001 1.3679 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9111 2.1491 0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2086 2.5143 1.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4016 2.1394 2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3474 1.4268 2.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7088 0.8096 1.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5839 0.0665 1.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0594 -0.0843 3.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9986 -0.7949 3.9536 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7194 -0.7796 3.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7223 -2.1310 2.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9203 -2.5472 1.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8692 -1.7182 1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5034 -2.3634 1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4536 -1.5337 0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1493 -1.7380 -0.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 -0.5804 1.5667 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8434 0.2670 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -0.3548 1.2468 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2124 -0.8505 2.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2972 -1.5031 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 -2.0083 0.4239 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1859 -1.3238 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 -0.1486 -0.2255 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 -2.0279 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6205 -1.2137 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 -0.9255 -1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7055 -0.1412 -2.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8677 1.1516 -1.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0369 1.9369 -1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3539 1.2237 -1.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7462 0.8485 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0552 0.1206 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1893 0.9462 -0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3331 2.1999 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3894 3.1357 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8248 2.8380 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4521 2.4216 0.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1366 1.0582 1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6961 -0.0203 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2136 0.1424 0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8419 -0.9139 -0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5439 -2.3110 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1947 -3.3258 -1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4915 1.0090 -4.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0246 -0.6151 -4.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5592 0.8909 -5.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7548 1.3443 -4.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7666 -0.3933 -4.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2556 1.8343 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8796 0.5658 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7154 -1.5247 -2.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6363 -1.9554 -1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3399 -2.5361 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8875 -1.1541 0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7449 1.2366 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0320 1.0445 1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4840 1.0963 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0340 2.5362 -0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0567 3.7016 1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3163 2.5238 1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7621 2.5404 3.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8855 1.2737 3.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0143 0.8338 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1257 -0.3786 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9405 0.9077 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8597 -0.5459 4.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8828 -0.1308 2.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5867 -0.9080 4.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4588 -2.8530 3.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9817 -3.5828 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9962 -1.8491 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8999 -0.6598 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5006 -3.4119 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3921 -2.4512 2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 0.7227 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8457 1.1378 1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3094 0.4377 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 -0.8475 3.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9171 -2.3528 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5633 -1.2924 -0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4394 -2.9642 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 -2.2833 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 -0.2382 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5641 -1.7476 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -0.3306 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5119 -1.8865 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6216 -0.7754 -2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5416 0.0875 -3.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9986 1.0084 -0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 1.7602 -1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1236 2.8771 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8711 2.1579 -3.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3693 0.3082 -2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1314 1.9342 -2.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8025 1.7108 0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 0.1586 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3249 -0.1887 0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9339 -0.8215 -0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0965 0.3254 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9613 1.1909 -2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3442 2.8140 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2559 2.0052 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1523 3.5707 -1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1899 4.0927 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4028 3.7068 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0379 2.0187 -1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1250 3.1745 1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5651 2.6028 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0832 0.8413 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6436 0.9389 2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3114 0.1326 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4244 -0.9782 0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6051 0.0619 1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4569 1.1102 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9265 -0.7554 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4675 -0.8133 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8611 -2.4802 0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4399 -2.4882 -0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9985 -2.8299 -1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4507 -3.7509 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6767 -4.1031 -0.4419 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 1 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 6 28 87 1 0 29 88 1 0 29 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M END