HMDB0042673 RDKit 3D TG(14:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) 169168 0 0 0 0 0 0 0 0999 V2000 9.2721 0.6728 -5.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7652 -0.3624 -4.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1011 -1.5237 -5.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5907 -2.5528 -4.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 -3.6680 -5.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4337 -4.7295 -4.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2267 -5.1637 -4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0504 -4.7721 -4.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -3.7707 -5.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4541 -2.6389 -5.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 -2.2267 -4.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 -2.0046 -5.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -1.5986 -4.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2454 -2.4529 -3.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6815 -3.0256 -2.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1174 -3.7431 -0.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 -4.4037 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 -5.0969 1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7064 -4.0836 2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4857 -4.8124 3.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2028 -4.0532 4.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1942 -3.0434 3.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0097 -2.4406 2.5596 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3122 -2.7284 4.3194 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2889 -1.8213 4.0772 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6190 -0.8957 5.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6117 0.0071 5.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1579 1.0182 4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7021 1.0930 3.6257 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1105 1.9818 5.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9139 2.8929 3.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 3.8447 4.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3248 4.8243 3.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6732 5.1327 1.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7643 4.5075 1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 5.5859 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9962 5.7402 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4517 4.9927 -1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 5.8726 -2.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 5.7307 -2.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 4.6372 -2.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 5.2290 -1.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4519 4.0839 -1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 4.5857 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 5.3990 -1.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 4.5388 -2.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7823 3.2971 -2.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 2.5109 -3.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5515 -2.3026 3.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3929 -2.6628 2.0448 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 -1.7437 1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8898 -0.5559 1.3935 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9215 -2.0909 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 -0.9813 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1381 -0.4524 -1.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4463 0.0994 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 0.5582 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1016 1.0484 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 0.0527 1.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 0.7704 2.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0489 -0.1072 3.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2359 0.4378 4.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 1.7230 4.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 1.7435 5.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0757 3.1493 6.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4112 1.2327 -5.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8570 1.4248 -4.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8740 0.2224 -6.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0282 0.1001 -3.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6494 -0.7773 -3.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8029 -1.9637 -5.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -1.1585 -5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 -2.0970 -3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3629 -2.9606 -3.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3007 -3.1216 -5.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8259 -4.1237 -5.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 -5.2148 -3.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0796 -6.0107 -3.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 -5.7463 -5.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 -4.5618 -4.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 -3.9940 -6.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5404 -1.9190 -6.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -1.1796 -4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7279 -2.7728 -3.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 -1.1631 -5.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 -2.9080 -5.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7621 -1.3459 -4.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 -0.5366 -3.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8156 -3.3327 -3.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1376 -1.9461 -2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2545 -3.8556 -2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3651 -2.3229 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8307 -4.4163 -1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7319 -2.9200 -0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 -3.5853 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4066 -5.1363 -0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -5.7650 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7736 -5.6801 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4426 -3.6095 1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0473 -3.4042 2.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -5.4829 3.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1693 -5.5844 2.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8007 -4.7566 4.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4794 -3.5892 4.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8462 -1.1624 3.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5255 -0.2732 4.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8637 -1.4953 6.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4689 2.6937 5.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 1.5593 5.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6464 2.1626 3.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9401 3.3060 3.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9171 3.1813 4.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 4.3380 5.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4269 5.4596 3.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 5.9636 1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3114 3.7701 1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 4.0213 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 6.1876 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7194 6.5521 -0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4144 4.7158 -2.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9968 4.0657 -1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2469 6.7214 -2.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 6.4494 -3.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 3.9279 -1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 4.0542 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 5.8164 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 5.8945 -2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 3.3637 -1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 3.5097 -0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3104 5.2033 0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2521 3.7474 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4594 5.7714 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 6.2658 -1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6587 5.1500 -3.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 4.2195 -3.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 2.6272 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6565 3.5479 -1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1361 1.9671 -3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3382 3.1867 -4.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 1.7951 -3.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2397 -1.4034 3.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1108 -3.0556 3.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1692 -2.9228 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8761 -2.5740 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6628 -1.3595 -2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2803 -0.1724 -1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0243 0.3209 -2.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4353 -1.2900 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3014 -0.6566 0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9092 0.9949 0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6079 -0.2627 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2555 1.3891 -1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1617 1.3170 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4579 1.9560 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1812 -0.7957 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4544 -0.2281 2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 1.0430 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 1.7279 2.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3568 -1.0661 2.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3008 -0.3982 4.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1036 0.5014 3.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 -0.3703 4.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0837 1.9446 5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 2.5779 4.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 1.3535 5.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4578 1.0951 6.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 3.2357 7.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 3.5353 6.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 3.8651 5.7336 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 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 1 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 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 6 26106 1 0 26107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 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 64166 1 0 65167 1 0 65168 1 0 65169 1 0 M END