HMDB0007166 RDKit 3D DG(18:0/20:1(11Z)/0:0) 124123 0 0 0 0 0 0 0 0999 V2000 16.6000 0.1059 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2925 0.6126 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6471 1.5849 -1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3298 1.0170 -2.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 -0.1431 -2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0233 0.1810 -1.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1410 -1.0480 -1.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7661 -0.6923 -1.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9127 -1.8819 -1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 -2.4819 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5285 -1.9801 1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1041 -1.6463 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 -1.1159 2.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 -0.7762 3.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1106 0.2493 3.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 0.1278 2.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4601 -1.1278 2.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -1.1891 3.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 -0.0813 3.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5848 0.0594 2.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6062 -0.7358 1.1818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3478 1.0771 2.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 1.2294 1.0900 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6726 1.1141 1.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8749 -0.1259 2.1963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 2.5597 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 2.6488 -0.5944 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3441 1.8447 -1.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6058 0.8755 -1.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 2.0899 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 1.0066 -2.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7217 1.1618 -3.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3912 2.4483 -3.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8688 2.8039 -1.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8840 2.1298 -0.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9005 0.8242 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7652 -0.4554 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9725 -1.6517 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2827 -1.8412 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4686 -2.1561 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0153 -1.2723 -1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4949 0.0768 -0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5845 0.0556 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7758 -0.6589 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9146 -0.7103 0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5582 -1.4300 1.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2581 0.9873 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4299 -0.4448 -1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0995 -0.5300 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6099 1.2300 0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6525 -0.1658 0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7640 2.0782 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3865 2.4160 -1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8485 1.8205 -3.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2446 0.7420 -3.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2050 -0.4290 -3.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8204 -1.0553 -1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5197 0.9656 -2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1299 0.5780 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5651 -1.8796 -1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0675 -1.3761 -2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 -0.1794 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3858 0.1008 -2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7344 -2.3111 -2.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7427 -3.3639 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9897 -2.7713 1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 -1.1103 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6074 -1.0094 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6089 -2.6305 1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0400 -0.2622 2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7943 -1.9547 3.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5554 -1.7695 3.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4368 -0.4765 4.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 1.2223 3.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4479 0.5459 4.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8696 0.2490 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5541 0.9832 2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 -1.0847 1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0577 -2.0509 1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 -1.3646 4.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -2.1378 3.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 0.9183 3.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9228 -0.2454 4.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 0.4214 0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3836 1.2042 0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8864 1.9137 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7659 -0.5060 1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3504 3.3368 1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 2.6905 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9168 3.0958 -2.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 2.0649 -3.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0666 0.0100 -2.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8946 1.0997 -1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3324 1.1525 -4.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3358 0.2713 -3.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2629 2.5064 -3.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 3.3213 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9234 2.9688 -1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2368 3.9244 -1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9020 2.2437 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1875 2.8958 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0444 0.8705 0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7805 0.7487 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1873 -0.5741 -2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6156 -0.5516 -1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6502 -2.5363 -0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2077 -1.5565 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4682 -0.9839 1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1601 -2.7090 1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2745 -3.1631 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3532 -2.4483 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9300 -1.8052 -1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3940 -1.1256 -2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7423 0.8476 -0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0576 0.4671 -1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2099 -0.3489 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8310 1.1252 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1477 -0.2178 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5410 -1.7328 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7399 -1.2536 0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2845 0.3235 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0670 -0.8178 2.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8706 -2.2755 1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5059 -1.8144 2.2710 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 1 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 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 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 6 24 85 1 0 24 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 46124 1 0 M END