HMDB0047938 RDKit 3D TG(14:1(9Z)/18:1(11Z)/24:1(15Z)) 173172 0 0 0 0 0 0 0 0999 V2000 8.0291 0.2370 -4.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3726 0.6618 -3.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3105 -0.2388 -2.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8093 -1.6545 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5642 -1.7212 -1.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3827 -2.3538 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4451 -3.0955 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7474 -2.5317 1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5087 -2.6111 2.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8723 -2.0415 3.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7011 -2.0647 4.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 -1.2793 4.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 0.1710 4.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 0.8367 3.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5584 0.1261 3.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 2.1827 3.4965 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 2.8779 3.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 2.9607 4.0579 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1748 3.9142 3.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 3.6888 2.6056 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6465 3.8818 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 4.3466 0.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3778 3.5440 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0943 4.3640 -0.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1097 4.0581 -2.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4951 4.2701 -1.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5471 3.9834 -2.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8948 4.1288 -2.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1166 4.0098 -2.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4074 2.8183 -3.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5936 2.5672 -4.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0583 1.2775 -5.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8074 0.0523 -4.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3498 -0.1523 -4.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -1.3900 -3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7001 -1.3359 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6122 -2.1737 -1.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2099 -3.2873 -2.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6663 -3.3536 -2.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5998 -3.5244 -1.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5807 -2.4638 -0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8291 -1.0715 -1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7643 -0.0664 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7606 -0.2994 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6516 0.7523 2.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7236 1.6806 4.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 1.2708 5.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 2.0777 6.6047 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1859 0.0021 6.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 0.2496 6.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9042 -0.8287 7.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 -2.1773 6.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 -2.4711 5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4112 -2.0462 4.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4137 -2.4177 3.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 -2.1840 2.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 -0.8074 1.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 -0.8552 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1559 -0.5960 -0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 -0.2265 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2304 -1.0895 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9206 -1.3108 -0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2207 -1.9550 -2.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -3.3289 -1.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 -3.8901 -2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7130 0.7280 -5.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9554 -0.8315 -4.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0155 0.6866 -4.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4522 0.9028 -2.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9044 1.6541 -3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 -0.3130 -3.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6585 0.1980 -1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.0535 -3.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6503 -2.2399 -1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7011 -1.1843 -1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3987 -2.3223 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3764 -3.2539 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 -4.1530 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -3.1464 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1460 -1.4959 1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2019 -3.6701 2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 -2.0091 2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2975 -1.0410 3.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6532 -2.6946 4.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0479 -1.6218 5.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3781 -3.0934 5.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 -1.7129 3.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -1.3182 5.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6623 0.3553 3.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0657 0.6770 5.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 3.8878 2.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 2.3878 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 3.3833 5.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 4.9443 3.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4582 4.0533 4.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3944 2.4583 0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3482 3.8659 0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9039 4.0994 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 5.4288 -0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 3.0488 -2.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8874 4.7866 -2.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7605 3.6438 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6754 5.3171 -1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4128 4.6210 -3.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3987 2.9164 -3.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9174 5.1538 -1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0149 3.4364 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9861 4.1273 -2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2803 4.9466 -3.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4298 1.8716 -3.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4803 2.9142 -4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5137 2.6113 -4.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8376 3.3971 -5.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6172 1.1449 -6.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1606 1.3631 -5.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4011 0.0140 -3.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -0.8187 -5.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9663 0.7513 -3.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 -0.2803 -5.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4079 -2.3058 -4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9866 -1.5043 -3.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3158 -0.5137 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8715 -1.9479 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9255 -4.2468 -1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7208 -3.4921 -3.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0263 -2.4485 -3.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8389 -4.1850 -3.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6587 -3.6074 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4611 -4.5100 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7210 -2.4992 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4775 -2.6988 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1534 -0.8067 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8625 -1.0240 -1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7298 -0.1698 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8300 0.9730 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5901 -1.2926 1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7968 -0.2770 0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0325 0.2984 3.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2878 1.5942 1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5926 1.0382 2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7624 -0.2882 7.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.8318 5.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1518 1.1234 7.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 0.7422 5.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9237 -0.4138 7.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 -0.8841 8.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 -2.7906 7.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 -2.7136 6.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 -3.5981 5.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0202 -2.0765 5.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4436 -2.5859 4.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 -0.9869 4.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3952 -1.9641 3.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 -3.5208 3.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 -2.9521 1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8794 -2.4595 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5542 -0.1798 1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 -0.3269 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -1.1369 -0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 -0.6604 -1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8588 -0.0516 1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3568 0.8215 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0092 -0.6328 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 -2.0955 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -0.3675 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8129 -1.9892 -0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 -1.3920 -2.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 -2.2175 -2.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 -3.9664 -1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0337 -3.2654 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 -4.0754 -2.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 -3.1938 -3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 -4.7979 -3.2866 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 2 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 2 0 14 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 2 0 21 23 1 0 23 24 1 0 24 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 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 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 18 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 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 2 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 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 17 91 1 0 17 92 1 0 18 93 1 1 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 0 24 99 1 0 25100 1 0 25101 1 0 26102 1 0 26103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 45140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 65173 1 0 M END