HMDB0047956 RDKit 3D TG(14:1(9Z)/18:1(9Z)/18:1(11Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -0.2475 -6.4352 -5.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -5.8857 -5.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -6.5112 -4.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4544 -7.9388 -5.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -8.8850 -4.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2347 -9.8402 -4.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 -10.0546 -3.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5307 -9.8943 -1.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4144 -10.0120 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4826 -8.9536 -0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3786 -8.9702 0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 -8.7946 2.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 -7.5326 2.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 -6.2877 1.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -6.3829 2.0451 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9996 -5.0757 1.7017 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 -3.8943 1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 -2.7350 1.2258 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5814 -1.4694 1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1527 -1.3622 2.5454 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 -0.2830 2.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0557 0.6119 1.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 -0.1111 4.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 1.0593 5.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6007 0.9108 5.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0973 2.0980 6.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 1.8624 6.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7817 1.7408 5.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6663 1.4848 5.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 2.5693 6.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 3.9219 5.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8545 4.9708 6.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 5.6561 6.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8405 5.6279 5.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7246 4.7364 4.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8774 4.8806 3.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1665 4.5305 3.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3362 4.6288 2.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6043 4.2621 3.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1799 -3.0803 0.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 -3.2671 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 -3.0824 0.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -3.6849 -1.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5539 -2.7700 -2.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 -1.4982 -2.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -0.5698 -3.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9464 -0.0983 -2.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 0.7417 -1.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 2.0712 -1.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9055 2.7916 -2.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 3.2057 -4.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 2.9989 -4.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4743 4.3343 -4.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 5.0399 -6.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2992 6.3675 -6.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 7.5419 -5.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 7.6647 -4.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 7.0069 -3.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1335 7.5381 -3.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5182 -7.0076 -6.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -6.9744 -4.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 -5.5310 -5.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -4.7702 -5.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 -5.9608 -6.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0705 -5.9102 -4.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7021 -6.3740 -3.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 -8.0081 -6.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3684 -8.2054 -4.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 -8.8320 -5.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 -10.4948 -4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5034 -11.1586 -3.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -9.4272 -3.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0907 -8.8723 -1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7177 -10.6527 -1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 -9.9415 0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 -11.0343 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 -9.0402 -1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 -7.9479 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 -9.9580 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1580 -8.2183 0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -9.6332 2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3636 -8.7745 2.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 -7.5561 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 -7.4852 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2403 -3.6319 2.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -3.9809 0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 -2.6834 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 -1.5118 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 -0.5773 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6612 -0.0240 4.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4207 -1.0734 4.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6155 1.0683 5.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2432 2.0274 4.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0699 0.8657 4.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -0.0438 5.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 2.0132 7.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3134 3.0217 5.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2545 2.6504 7.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5888 0.9225 7.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9159 2.5715 4.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 0.8220 4.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 1.2790 4.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6595 0.5500 6.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3171 2.2759 6.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7474 2.6195 7.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 3.8607 4.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1479 4.1806 5.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 5.1969 7.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1324 6.4216 7.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9286 5.6413 5.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8247 6.6988 4.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7491 3.6529 4.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8372 5.0151 3.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6193 4.1248 2.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8609 5.8716 2.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3699 5.1840 4.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2091 3.4838 4.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3957 5.7022 2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 3.9562 1.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8049 3.1824 3.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4746 4.7363 2.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6067 4.6650 4.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2081 -4.0040 -2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -4.6782 -1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4121 -2.5105 -1.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -3.3210 -3.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 -0.9814 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 -1.7434 -3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 0.2701 -3.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 -1.1631 -4.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 0.5665 -3.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7029 -0.8841 -2.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8298 1.0186 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3011 0.2373 -0.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 1.9865 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 2.6599 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9558 3.0017 -2.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 3.7144 -4.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 2.5815 -3.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1993 2.3563 -5.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 4.8525 -4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4545 3.9601 -5.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 5.1317 -5.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2495 4.3641 -6.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4479 6.1884 -6.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 6.6287 -7.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6384 8.4437 -5.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0131 7.9070 -5.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3187 8.7535 -3.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 7.2612 -3.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 7.3772 -2.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 5.9541 -3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6496 7.5830 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1301 8.5192 -3.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 6.7854 -3.9742 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 2 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 18 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 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 2 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 17 85 1 0 17 86 1 0 18 87 1 1 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 25 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 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 39122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 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 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 59155 1 0 M END