HMDB0045101 RDKit 3D TG(18:0/18:3(6Z,9Z,12Z)/20:0) 173172 0 0 0 0 0 0 0 0999 V2000 3.7383 -4.2007 -6.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 -3.1425 -7.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 -1.8891 -6.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5904 -1.3751 -5.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1182 -0.1099 -5.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 0.3066 -4.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 0.3994 -2.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 0.0826 -2.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2129 1.1033 -1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 2.3611 -1.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 3.1828 -1.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 3.8465 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8959 3.7704 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9537 3.0332 -1.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 1.9649 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7291 1.1510 -1.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2572 0.1322 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2882 -0.7514 -0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4985 -0.4487 -0.8135 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 -1.9066 -1.6335 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0094 -2.7456 -2.1258 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0215 -2.9588 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 -1.7850 -4.3736 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 -1.8448 -5.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 -3.0494 -6.2181 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 -0.7235 -6.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -0.0577 -6.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 0.5168 -5.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0565 1.5511 -4.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0626 2.1687 -3.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1662 2.9250 -2.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4669 2.2817 -2.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4779 3.2224 -1.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9536 3.6523 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9132 4.5636 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1699 4.8593 1.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9239 5.7401 2.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 5.9559 3.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7371 4.6904 4.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8914 5.1036 5.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 3.8817 6.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6563 4.2727 7.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8014 -4.0950 -1.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8995 -4.1308 -0.0896 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9911 -3.8351 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0516 -3.4735 0.0879 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9905 -3.9222 2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5688 -3.8712 2.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 -2.5534 2.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5979 -2.2756 2.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4238 -3.2219 2.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 -2.7920 2.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8827 -3.6973 2.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7728 -5.1100 2.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8815 -5.9512 2.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2342 -5.9473 2.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1174 -4.8064 2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -3.8689 3.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -2.7743 3.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9026 -1.9455 2.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9739 -0.8546 2.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7518 0.0177 3.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 0.6942 3.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3312 1.5609 5.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 0.7220 6.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 -4.1177 -5.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 -5.1890 -6.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 -4.1958 -6.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0666 -2.8983 -7.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 -3.5501 -8.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6781 -1.1376 -7.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 -2.1777 -6.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2809 -2.1436 -5.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6836 -1.0971 -6.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2222 0.6470 -5.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1235 -0.2274 -4.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0915 0.5566 -4.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3189 0.6901 -2.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 -0.5625 -2.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -0.6990 -1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1662 0.7197 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7974 2.9240 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4602 4.0720 -2.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 2.7715 -2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7782 4.4555 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 4.3047 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3471 2.7192 -2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 3.8062 -1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 2.4563 0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 1.2641 -0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 1.8236 -1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1728 0.6667 -2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3742 -0.4812 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 0.6872 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9975 -2.2946 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9509 -3.5617 -3.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1903 -3.5956 -3.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 0.0034 -6.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3028 -1.0689 -7.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 0.7106 -7.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5235 -0.8295 -6.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0540 1.0014 -5.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1811 -0.3240 -4.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9685 2.3527 -5.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 1.0361 -4.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6278 1.4201 -2.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1718 2.9207 -3.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2755 3.8980 -3.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 3.2894 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3674 1.4307 -1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9236 1.8783 -3.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4541 2.7450 -1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5748 4.1157 -2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8583 2.7361 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9659 4.1302 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8407 4.0497 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0148 5.5008 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8878 3.8849 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2059 5.3197 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8243 5.1592 2.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1831 6.6790 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1202 6.4712 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5877 6.6213 4.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0554 4.0122 3.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6123 4.1316 4.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9645 5.6123 5.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4254 5.7879 6.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9222 3.1524 5.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3836 3.3371 6.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0111 3.4487 7.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3051 4.5417 8.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 5.1590 7.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7983 -4.5144 -1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -4.8097 -1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5872 -3.1181 2.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4951 -4.8719 2.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0315 -4.7488 2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7173 -3.9302 3.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6446 -1.7684 2.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1502 -2.4101 1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3336 -1.2554 2.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5559 -2.1532 3.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -3.0869 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2247 -4.2797 2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 -2.7896 3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0326 -1.7640 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8672 -3.2771 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -3.7505 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 -5.5232 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 -5.2483 3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9919 -5.8008 0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 -7.0606 2.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8201 -6.7810 2.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1731 -6.5089 3.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 -4.2021 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1842 -5.1888 3.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9347 -3.4006 4.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0429 -4.4575 4.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9454 -3.2266 4.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 -2.1519 4.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0695 -2.5679 1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9279 -1.4323 2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8428 -0.2651 1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9758 -1.3113 2.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5116 0.8412 3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8723 -0.5316 4.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5715 -0.0522 4.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 1.3382 3.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3295 2.0381 5.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 2.3215 5.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0596 -0.2827 6.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0731 1.2105 7.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 0.5570 6.7181 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 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 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 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 1 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 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 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 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