HMDB0043934 RDKit 3D TG(16:0/18:0/18:3(9Z,12Z,15Z)) 161160 0 0 0 0 0 0 0 0999 V2000 2.1554 -5.8402 -2.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -5.3526 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9748 -4.6007 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7184 -4.9229 1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2672 -6.0594 1.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -6.8677 2.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9339 -8.0940 2.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -9.0512 1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 -9.7717 0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0349 -9.8454 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -9.2932 -1.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5783 -8.5143 -2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 -8.0672 -3.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 -7.3822 -4.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8993 -6.9629 -5.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0758 -6.4334 -6.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7489 -5.2173 -6.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0345 -3.9513 -6.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 -3.2615 -7.3495 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3186 -3.3897 -5.2107 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -2.1122 -5.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 -1.6963 -4.1554 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2020 -2.6021 -3.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 -2.4287 -2.8479 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 -1.2928 -2.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3961 -0.2283 -3.0655 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4655 -1.2802 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6418 0.0641 -0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 0.5855 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 1.9007 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 3.0557 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 4.3388 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6275 4.6664 1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6691 5.9577 2.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9447 7.1455 1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9762 8.3883 2.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 8.5941 2.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4947 8.7289 1.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7324 8.9244 2.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9942 9.0595 1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1398 9.2450 2.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 -1.6912 -3.0976 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2314 -0.4755 -2.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 0.5462 -2.9763 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -0.4025 -1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4763 -1.7445 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2252 -2.3538 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -1.4738 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 -1.2978 2.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9936 -0.4360 3.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 -0.3830 4.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 0.3810 5.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3947 1.8261 5.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4998 2.7588 5.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2389 2.8428 3.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4712 3.2808 2.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4788 3.3449 1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7954 3.8518 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7727 3.9427 -0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0603 4.4706 -2.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9329 3.5305 -2.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.1852 -3.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0835 -6.0317 -1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5845 -6.8361 -2.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 -6.2305 -0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -4.6295 -1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 -3.7263 -0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0171 -4.2843 1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9238 -5.6289 2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9718 -6.7085 1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -6.3164 3.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 -8.5400 2.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 -9.7775 1.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 -8.5633 0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2688 -10.3425 1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9014 -10.4876 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9258 -10.0466 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 -8.5759 -1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 -9.1686 -2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8064 -7.6016 -1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 -7.4161 -3.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 -9.0224 -4.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 -6.4650 -3.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 -8.0844 -4.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4977 -7.8245 -6.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 -6.1134 -5.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6745 -6.1998 -7.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 -7.2601 -6.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6929 -5.0900 -6.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 -5.4056 -5.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4832 -1.3599 -5.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 -2.1406 -6.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 -0.6261 -4.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8086 -3.6627 -3.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8911 -2.5900 -4.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -1.7472 -1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0644 -1.9509 -0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0438 0.7619 -1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3678 -0.0513 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 -0.1968 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5521 0.5570 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 2.1318 1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 1.8386 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8318 2.8148 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 3.2044 -1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 5.2005 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 4.2591 1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8181 4.7255 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 3.8080 1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 6.0797 2.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4007 5.8993 2.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1654 7.2423 0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 7.0604 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 8.3318 2.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 9.2789 1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5411 7.7973 3.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7855 9.5706 3.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5995 7.8206 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3525 9.6517 1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8143 8.0968 3.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 9.8576 3.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 9.8917 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2256 8.1417 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1053 8.8784 2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2628 10.3297 3.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9865 8.6628 3.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1537 -0.0056 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8849 0.3518 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -2.3857 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3021 -1.6468 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5128 -3.3155 0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 -2.4717 -0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3453 -0.5226 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -1.9170 1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -0.9381 1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7389 -2.3086 2.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0704 -0.9211 3.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7088 0.5337 2.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 -1.4792 4.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0435 -0.2073 3.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3739 0.0991 6.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6823 -0.0984 5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 2.0290 4.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9609 2.0953 6.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 3.8364 5.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2679 2.5649 5.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8599 1.9476 3.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0327 3.6545 4.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0483 4.2807 2.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 2.6171 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 4.0218 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 2.3606 1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0004 3.1325 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2957 4.8226 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1619 2.9357 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6645 4.5454 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 4.6312 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5844 5.4510 -1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 2.5858 -1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 3.2649 -3.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9293 3.9764 -2.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 22 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 6 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 41126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 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 61161 1 0 M END