HMDB0044662 RDKit 3D TG(16:0/O-18:0/18:3(9Z,12Z,15Z)) 162161 0 0 0 0 0 0 0 0999 V2000 -2.7757 -4.3014 -11.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5172 -2.9823 -11.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 -2.0503 -11.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -1.5825 -11.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1489 -1.9287 -10.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 -0.6866 -9.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4392 -0.2007 -9.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 -0.8046 -9.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -1.0341 -8.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1258 -2.1379 -7.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8195 -3.4396 -8.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 -4.4436 -7.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2693 -4.1345 -6.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9443 -3.9724 -7.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1394 -3.7165 -6.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4795 -3.6146 -6.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 -3.3859 -5.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 -2.1572 -5.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -1.0773 -5.5017 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 -2.0816 -3.9434 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -0.8716 -3.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7965 -1.0052 -1.9568 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8361 0.3511 -1.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0703 0.5332 -0.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 1.7662 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8609 2.5657 0.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 2.1072 1.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 3.3071 2.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 4.6024 1.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1891 5.7368 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 5.9898 3.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9179 7.1461 4.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2872 6.8456 5.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0369 5.7220 6.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 5.4706 7.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9922 4.4464 8.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5488 3.0961 7.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3691 2.2049 8.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 0.8332 8.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 0.7939 7.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8522 -0.6180 7.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5062 -1.3574 -2.3408 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7254 -2.6407 -1.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -3.0753 -1.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 -4.4449 -1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 -4.9241 -1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 -3.9049 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -3.7315 1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -2.6648 1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6765 -2.4314 3.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -2.0529 2.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 -1.7775 4.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -1.4454 3.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 -1.1338 5.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2438 -0.8098 4.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 0.3810 3.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7403 0.7473 3.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4598 -0.3482 2.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8449 0.1602 2.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7137 1.3951 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8766 -4.6747 -12.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 -4.2242 -12.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0564 -5.0417 -11.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -3.0837 -10.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5519 -2.4755 -11.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0769 -1.7050 -12.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.9026 -12.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 -2.5993 -9.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0564 -2.5180 -10.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -0.1646 -9.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 0.7588 -8.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2866 0.0029 -10.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 -1.6356 -10.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 -0.1136 -7.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 -2.1296 -7.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7638 -3.8149 -8.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9948 -3.3746 -9.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 -5.3691 -8.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 -4.7983 -6.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1663 -4.8728 -5.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 -3.1675 -6.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9773 -3.0489 -7.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6973 -4.8145 -7.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 -2.7130 -5.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -4.5153 -5.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6956 -4.5969 -7.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 -2.7768 -7.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 -4.2802 -5.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5473 -3.3615 -6.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -0.0282 -3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 -0.5938 -2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2667 -1.7634 -1.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 1.1568 -2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 0.5087 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0298 1.2464 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 2.2082 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4259 3.4163 3.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 3.1374 2.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3343 4.8386 0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4089 4.5627 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7928 5.5940 3.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0959 6.6558 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2028 6.2930 2.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 5.1311 4.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7664 7.3588 5.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 8.0504 3.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4762 7.7396 5.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1997 6.6222 4.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 6.0421 6.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3725 4.8012 5.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 6.4655 7.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0081 5.1698 6.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9915 4.2951 8.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 4.7815 8.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 3.1421 7.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 2.6504 7.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3747 2.6616 9.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3473 2.1610 9.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.2581 7.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 0.2706 9.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 1.2945 8.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2711 1.3053 6.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 -1.1548 8.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -1.2535 7.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7489 -0.6136 6.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 -2.6802 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 -3.3280 -2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -2.3306 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3713 -3.1883 -3.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -4.6193 -0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 -5.1443 -2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1718 -4.8936 -2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8061 -5.9205 -0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 -4.3467 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6082 -2.9499 -0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 -3.6874 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9836 -4.7004 1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 -2.9466 2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 -1.6776 1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 -1.6367 3.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 -3.3514 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6915 -2.7735 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3013 -1.1156 2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 -2.6571 4.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -0.9025 4.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3728 -2.4086 3.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 -0.6877 3.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 -0.2481 5.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 -1.9934 5.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7732 -1.6553 4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -0.5857 5.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 1.2573 4.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 0.3268 2.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6644 1.6407 2.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2948 1.0453 4.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 -0.5653 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5026 -1.2928 3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4799 -0.6034 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3733 0.5005 3.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1038 1.1651 0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 2.2956 1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7396 1.6107 0.9560 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 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 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 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 0 21 91 1 0 22 92 1 1 23 93 1 0 23 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 41125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 59159 1 0 60160 1 0 60161 1 0 60162 1 0 M END