HMDB0005451 RDKit 3D TG(18:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z)) 175174 0 0 0 0 0 0 0 0999 V2000 3.4341 -0.9210 13.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1719 -0.2911 12.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 0.8627 12.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3617 1.5461 11.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 2.7258 10.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 3.5043 10.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5296 3.6905 8.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 3.1842 7.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 4.3044 7.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8561 4.7092 5.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9474 4.1747 4.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6439 3.7474 3.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5894 2.6256 2.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 1.4670 3.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 0.2052 3.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1621 -0.7774 2.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1286 -0.5714 1.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6529 -0.7060 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5061 -0.3254 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 -0.3141 -2.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4708 -1.1877 -2.7096 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8617 0.4306 -3.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2574 1.0461 -4.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 0.4927 -5.2301 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5560 0.3797 -4.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6709 1.5000 -3.8587 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8131 1.8158 -3.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7857 1.0646 -3.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7686 2.9819 -2.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8755 4.0973 -2.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8256 5.1951 -1.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8727 6.2480 -2.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7033 7.3457 -1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2111 6.7892 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 6.1359 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2693 6.9826 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1057 6.8541 -0.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0636 5.8180 -2.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3303 4.9089 -2.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5415 5.7525 -2.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8615 5.1703 -2.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 4.2437 -1.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 2.9146 -1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7509 1.9828 -0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0037 2.5181 0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6707 -0.5518 -5.9876 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 -0.5491 -7.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 0.5552 -7.9435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 -1.6654 -8.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2624 -2.5527 -8.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8493 -2.9890 -7.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7934 -3.7326 -6.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3666 -4.1264 -5.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 -4.8214 -4.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7028 -5.2277 -2.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1245 -3.9889 -2.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5501 -4.2419 -0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 -4.7982 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 -5.0125 1.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 -5.8975 1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -7.3190 1.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -7.7513 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6599 -9.3076 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3329 -9.8372 -1.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 -9.4359 -1.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8023 -10.0839 -3.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5296 -9.7396 -3.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1839 -1.9079 13.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1653 -1.0245 12.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8348 -0.2182 14.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -1.0636 12.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 0.0625 13.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 0.5624 11.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1603 1.6272 12.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 0.8016 10.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 1.9379 12.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 3.4232 11.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5574 2.3951 9.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 3.9269 10.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 4.3057 8.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 2.6993 6.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 2.4106 8.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 4.8684 7.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 5.5949 5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2491 3.4295 5.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2852 5.0756 4.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 4.5265 3.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2066 2.5037 1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1871 1.4776 2.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 1.6951 4.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 0.0810 4.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6989 -1.7119 2.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5041 -1.5483 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 0.1788 1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0651 -1.6995 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4171 0.0770 0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3314 -1.0679 -0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 0.6450 -0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3078 1.4571 -4.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7486 2.0777 -3.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 1.3767 -5.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2672 0.5188 -5.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7432 -0.5693 -4.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8136 3.3312 -2.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4044 2.6653 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3999 4.6141 -3.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8806 3.8208 -2.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8254 5.6408 -1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 4.6938 -0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 6.7568 -2.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9108 5.9175 -2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 7.8780 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 8.0897 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1155 7.6648 0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 6.1310 0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6965 5.7123 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 5.3095 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 7.8407 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 7.5882 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0913 6.2542 -3.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2223 5.1291 -2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 4.4256 -1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1535 4.1457 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 6.4881 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 6.4838 -3.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8589 4.7124 -3.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5725 6.0840 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6312 4.1135 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5319 4.7491 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 3.0010 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7883 2.4176 -2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1983 1.0199 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6793 1.7524 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2717 3.2202 1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1071 1.7003 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0066 3.0236 0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 -1.2583 -9.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 -2.2101 -7.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -2.0087 -9.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 -3.4561 -8.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 -3.6964 -7.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2751 -2.1212 -6.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8933 -3.1518 -6.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5278 -4.6301 -6.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5775 -3.1536 -4.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 -4.7470 -5.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 -4.1528 -4.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9623 -5.7190 -4.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 -5.8854 -3.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9007 -5.7999 -2.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 -3.6060 -2.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3601 -3.1958 -2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8795 -3.2810 -0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3791 -4.9841 -0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 -3.9200 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9096 -5.5685 -0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -4.0028 1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 -5.4606 2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9888 -5.4474 1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 -5.7798 2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9471 -7.8397 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2498 -7.8456 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5515 -7.5274 -0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2528 -7.3523 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0005 -9.6879 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7042 -9.5638 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -10.9571 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0696 -9.4924 -2.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 -8.3272 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 -9.7083 -1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 -11.1863 -3.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 -9.7654 -3.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 -8.8954 -3.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -10.6055 -3.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 -9.4182 -4.9817 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 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 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 24 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 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 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 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 6 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 37119 1 0 38120 1 0 38121 1 0 39122 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 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 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 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 67175 1 0 M END