HMDB0097783 RDKit 3D TG(a-13:0/17:0/8:0)[rac] 125124 0 0 0 0 0 0 0 0999 V2000 2.2104 -3.6964 3.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -3.7631 3.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 -3.5738 2.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0533 -4.6830 1.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7794 -4.4764 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -5.4479 -0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 -5.8155 -1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3617 -6.5158 -0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1376 -6.8492 -1.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1518 -7.5691 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4045 -6.8612 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1525 -5.5855 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7303 -4.9089 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -3.6905 0.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 -2.4507 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1993 -2.4246 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8306 -1.0033 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0932 -0.7952 -1.9832 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 0.0203 -0.6598 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3252 1.3887 -0.9086 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0830 2.0603 0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 1.5231 1.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3344 1.5721 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 2.1349 -0.5488 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 0.9966 1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 1.1519 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 0.4486 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0345 0.7207 -1.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 0.0425 -2.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 0.4688 -3.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2372 -0.3152 -5.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5479 2.0440 -1.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2648 3.4080 -1.7791 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 4.1778 -2.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3818 3.6117 -2.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1911 5.5895 -2.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9278 6.2955 -2.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 6.3537 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 7.0570 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 7.1178 1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 5.7991 1.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 4.9386 2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1087 5.5962 2.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3375 4.7553 2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0048 3.4085 3.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1975 4.6290 1.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6498 4.0445 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 -2.9599 2.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 -3.3678 4.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8205 -4.6567 3.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 -4.7474 4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 -2.9072 4.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1562 -2.6127 2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5172 -3.7078 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2474 -5.6349 1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 -4.4839 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5774 -3.4437 -0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8857 -4.3839 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 -5.2159 -1.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1524 -6.4224 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9636 -4.9168 -2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6752 -6.5014 -2.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7491 -7.5283 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0252 -6.0157 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -7.5192 -2.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -5.9627 -2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 -8.5782 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7314 -7.8665 -1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 -6.6355 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1212 -7.5377 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0141 -5.9422 -0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 -4.9850 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8626 -4.6309 1.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 -5.6039 1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4626 -3.9625 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0448 -3.4461 1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 -1.6983 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3321 -1.9535 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 -2.8634 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1586 -2.8876 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4652 1.4980 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 3.1500 0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 1.8483 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6529 1.6209 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -0.0629 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 0.7935 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9688 2.2412 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7046 -0.6614 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8678 0.6410 -1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 1.8193 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 0.3325 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0861 0.2378 -3.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0767 -1.0659 -2.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 0.2960 -3.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 1.5399 -4.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2699 -0.1322 -5.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -1.3937 -5.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5531 0.1050 -5.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8536 1.5876 -2.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3407 2.0333 -0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0281 6.1050 -2.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4714 5.7138 -3.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1462 5.9136 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0767 7.3691 -2.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 5.3503 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5439 6.9893 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4734 6.5797 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 8.0903 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 7.7037 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 7.6662 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 6.0038 3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9794 5.1941 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6971 4.0383 2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2793 4.5653 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 5.7414 3.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3761 6.6065 2.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9754 5.2756 3.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5688 2.7156 2.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9077 2.9421 3.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3041 3.6020 4.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0862 3.9831 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6234 5.6406 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5673 3.7265 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0353 3.1511 0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 4.7682 -0.2579 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 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 28 29 1 0 29 30 1 0 30 31 1 0 20 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 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 44 46 1 0 46 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 20 81 1 6 21 82 1 0 21 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 47125 1 0 M END