HMDB0050638 RDKit 3D TG(20:1(11Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)) 175174 0 0 0 0 0 0 0 0999 V2000 -6.9698 4.6274 2.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3162 3.1572 1.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6074 2.6900 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7236 1.7256 0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3157 0.9772 1.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6223 -0.4567 1.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7103 -1.3778 1.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 -1.1560 1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7252 -1.9925 2.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 -2.9242 2.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 -3.1662 1.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2013 -3.1848 1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 -2.3493 0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3604 -1.1372 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 0.0202 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 0.9519 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0726 1.1998 1.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8061 2.4748 1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 2.7548 2.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8117 3.0757 4.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 4.0950 4.8945 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 2.4172 4.5374 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1497 2.8093 5.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 1.8772 5.6060 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0706 2.1382 4.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1445 3.5217 4.1166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6602 4.2505 3.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1351 3.7126 2.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6409 5.7545 3.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0252 6.4696 2.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 6.3321 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 7.0929 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 7.0487 -1.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 5.5917 -2.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 4.8017 -1.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 5.2425 -2.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0961 4.3023 -2.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2265 2.9053 -2.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 2.0826 -3.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 2.5055 -3.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 2.3643 -5.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 2.6800 -6.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 2.5641 -7.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 1.2192 -8.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6946 0.0561 -7.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0091 -1.2409 -8.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 -1.3409 -7.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 0.6403 5.9956 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2841 -0.5255 6.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4761 -0.5963 7.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5463 -1.7664 6.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -3.0182 5.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2259 -3.5478 5.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 -2.9531 4.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 -3.5098 3.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6892 -4.9876 3.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0631 -5.7336 2.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3906 -5.4614 0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4848 -6.4041 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6264 -6.2807 -1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -5.9045 -2.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2397 -5.5909 -1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7584 -6.5615 -2.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -6.2467 -2.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 -4.8735 -3.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5228 -4.4959 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9349 -3.1115 -3.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1039 -3.0367 -4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1648 -4.0089 -4.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3422 4.9538 3.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 4.6988 2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3921 5.2944 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4301 3.1934 1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2853 2.5252 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8328 3.1852 -0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2538 1.4475 -0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9675 1.3089 2.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2748 1.1850 2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6716 -0.7639 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0369 -2.4228 1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7323 -1.1184 0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1462 -0.0879 2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1186 -1.8308 3.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -3.5021 3.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -2.4994 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5755 -4.2386 1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6915 -4.0519 1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 -2.4639 0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3519 -1.2834 -1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5857 -0.9523 0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2113 -0.0338 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 1.7189 1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7956 0.3174 1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 1.0349 2.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 2.4305 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1052 3.3251 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 1.8724 3.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3672 3.6088 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6281 2.7567 6.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 3.8561 5.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 2.3942 6.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4648 1.6532 3.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0746 1.6923 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 6.0514 4.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6942 6.0916 3.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 7.5790 2.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9283 6.2858 2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6507 6.9462 0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9094 5.3157 0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 6.7009 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 8.1480 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 7.5096 -2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2888 7.5486 -1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 5.1412 -1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7259 5.6046 -3.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9785 4.6945 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 3.7536 -2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7964 6.3021 -2.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 5.1594 -3.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 4.4053 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 4.6623 -2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1101 2.4663 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 1.0252 -3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4427 1.7781 -3.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 3.4890 -3.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 1.4239 -5.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5615 3.1603 -5.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 3.7283 -5.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 2.0419 -5.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3469 2.7080 -8.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6804 3.3426 -8.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 1.2129 -9.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8109 1.0200 -7.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 0.0548 -8.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7575 -0.0627 -6.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6044 -2.0579 -7.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8923 -1.2344 -9.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 -0.6806 -6.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -2.3727 -7.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1787 -1.0812 -8.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.5115 6.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5622 -2.0410 7.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 -3.8226 6.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4564 -3.0738 4.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7164 -3.0755 6.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 -4.5915 6.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 -3.2377 4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9719 -1.8628 4.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 -3.1648 3.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -3.0889 2.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8091 -5.2505 3.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3921 -5.4178 4.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 -6.8350 2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 -5.8482 2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4331 -5.8146 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 -4.4287 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4932 -6.4394 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 -7.4363 0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 -6.4728 -1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -5.8285 -3.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 -4.5460 -1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 -5.6371 -0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 -7.6453 -1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4673 -7.0956 -3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 -4.8963 -4.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4194 -4.1248 -2.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2436 -5.2702 -2.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3544 -4.4595 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1556 -2.3996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8847 -2.8479 -2.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4821 -2.0277 -4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -3.2191 -5.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1544 -3.8343 -4.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2917 -3.8003 -6.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8304 -5.0533 -4.8954 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 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 24 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 2 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 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 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 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 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 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 64164 1 0 65165 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 69175 1 0 M END