HMDB0047711 RDKit 3D TG(24:0/O-18:0/18:3(6Z,9Z,12Z)) 186185 0 0 0 0 0 0 0 0999 V2000 1.4461 -7.4796 7.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5445 -8.5405 7.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8703 -8.0877 7.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9303 -6.9989 6.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -6.5568 5.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9768 -6.0082 6.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4311 -4.7798 7.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3652 -3.8584 5.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5925 -2.6413 6.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0807 -1.4430 6.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 -1.1378 5.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1115 -0.3477 6.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 0.8535 6.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5684 1.5214 5.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7828 2.8336 5.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7808 3.4172 3.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0422 4.7116 3.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1043 5.1524 2.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6988 4.5037 1.2636 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 6.3222 1.7589 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5368 6.7547 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8781 5.8428 -0.5661 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5107 5.4143 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 6.3670 -0.1906 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 5.8826 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8072 4.6472 0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 6.5844 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 6.3362 -0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 4.8203 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 4.6188 -2.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0443 3.1727 -2.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5742 2.2657 -1.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 2.4957 -1.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1651 1.4588 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 0.0552 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3412 -0.8814 0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3255 -2.3200 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0421 -2.7101 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0909 -4.1915 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -4.6102 -1.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 -3.8420 -2.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9544 -4.1306 -3.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8004 -3.3592 -5.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8242 -3.4577 -6.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1969 -2.9707 -5.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -3.5450 -4.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4252 -2.9694 -4.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2135 -3.5662 -3.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5985 -3.1718 -2.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9571 6.2839 -1.8496 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3379 5.4688 -2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6157 4.6990 -2.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 5.4638 -2.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1053 4.5536 -2.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0403 3.6853 -1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1925 2.7525 -1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2732 1.8912 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3443 0.8212 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9029 1.1784 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0189 0.1005 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9659 -1.1904 0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5669 -1.1905 -1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5119 -2.6662 -1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1803 -2.8047 -2.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0647 -4.2778 -3.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3054 -5.0425 -3.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5472 -4.5744 -3.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6814 -5.4769 -3.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6646 -7.6817 8.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -6.4648 7.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 -7.4407 7.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -8.9866 6.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4739 -9.3615 8.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 -7.8229 8.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4119 -8.9779 6.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3876 -6.0825 6.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 -7.3163 5.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3362 -5.9632 4.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8806 -7.5545 5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0401 -6.6880 7.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8667 -4.4289 7.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4656 -3.6139 5.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -4.2893 4.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5484 -2.7252 6.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 -0.5620 6.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0674 -1.9842 5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3229 -0.5049 4.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1686 -0.7976 7.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0556 1.3599 7.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6506 1.8942 4.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2411 0.9575 4.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7381 2.6718 5.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2695 3.4955 5.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4457 2.6551 2.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8611 3.6174 3.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 5.4810 4.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9875 4.5612 3.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1241 7.7865 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6336 6.8916 0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4334 4.8405 -0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2259 4.4451 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 5.1563 0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 6.3747 1.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8437 7.6950 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 6.7351 -1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8608 6.7680 -0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4279 4.3465 -0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 4.3516 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 5.1551 -2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 5.1086 -3.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6546 3.1255 -3.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 2.8032 -3.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 1.2392 -2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 2.1221 -0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7423 2.3150 -1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 3.4898 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 1.5634 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1248 1.6112 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 -0.0904 -1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.1888 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5989 -0.6771 1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3561 -0.6569 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4284 -2.9519 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1606 -2.5638 -0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -2.1464 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1379 -2.5675 0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 -4.5076 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0346 -4.7885 0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9366 -5.6839 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9758 -4.3968 -1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8607 -4.2609 -3.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 -2.7729 -2.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 -4.0013 -3.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8568 -5.2313 -4.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 -2.2685 -4.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8204 -3.7096 -5.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3935 -2.9689 -7.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8271 -4.5631 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7799 -3.1688 -6.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2345 -1.8352 -5.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6093 -3.0717 -3.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9957 -4.6108 -4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8472 -3.2943 -5.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3857 -1.8705 -4.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1178 -4.6800 -3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2532 -3.2163 -3.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3987 -3.0709 -1.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0467 -2.2069 -2.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8524 -3.9200 -2.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 4.7568 -3.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 6.1361 -3.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4618 3.8874 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 4.0700 -3.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0378 6.1520 -3.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9055 6.0710 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1493 3.9000 -3.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9870 5.2235 -2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1767 4.4422 -0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0506 3.2538 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1079 2.0481 -2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1730 3.2805 -1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2536 2.6179 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3703 1.5264 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6458 0.4265 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5003 -0.0224 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 2.0779 1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4815 1.4360 -0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 0.5808 1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4067 -0.0931 2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2095 -1.8283 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9683 -1.6791 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5777 -0.7047 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2839 -0.6243 -1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4778 -3.1112 -1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 -3.1209 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8833 -2.2685 -3.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1489 -2.3690 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7646 -4.3997 -4.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 -4.7015 -2.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1881 -6.1427 -3.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5066 -5.0032 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8316 -3.5446 -3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4229 -4.6834 -4.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4524 -6.5374 -3.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8913 -5.2430 -2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6252 -5.2531 -3.7355 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 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 41 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 22 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 67 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 21 98 1 0 21 99 1 0 22100 1 6 23101 1 0 23102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 43135 1 0 43136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 46141 1 0 46142 1 0 47143 1 0 47144 1 0 48145 1 0 48146 1 0 49147 1 0 49148 1 0 49149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 53154 1 0 53155 1 0 54156 1 0 54157 1 0 55158 1 0 55159 1 0 56160 1 0 56161 1 0 57162 1 0 57163 1 0 58164 1 0 58165 1 0 59166 1 0 59167 1 0 60168 1 0 60169 1 0 61170 1 0 61171 1 0 62172 1 0 62173 1 0 63174 1 0 63175 1 0 64176 1 0 64177 1 0 65178 1 0 65179 1 0 66180 1 0 66181 1 0 67182 1 0 67183 1 0 68184 1 0 68185 1 0 68186 1 0 M END