HMDB0290431 RDKit 3D SM(d17:2(4E,8Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 125124 0 0 0 0 0 0 0 0999 V2000 6.5371 3.6177 -1.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8155 2.3956 -1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4228 1.1395 -1.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 0.2902 -0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8450 0.5503 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 0.7043 1.1714 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5862 -0.5688 1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0017 -1.8895 1.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9175 -2.2013 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4955 -3.6024 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4443 -3.9374 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6422 -2.8874 -0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7287 -3.2474 -2.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7508 -3.4863 -3.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -3.4829 -2.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 -3.1472 -1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0881 -4.0143 -1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3015 -5.3966 -1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7814 -5.6531 -1.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 -4.6573 -2.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5293 -3.2954 -2.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0205 -3.2593 -1.0262 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -2.0962 -2.8902 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5714 -0.7723 -2.4226 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5932 -0.3235 -1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6774 -1.1801 -0.2685 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 -0.6314 0.9976 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1516 0.7096 0.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.6498 1.3031 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.6569 -0.4689 2.4144 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1478 -1.7530 2.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 -1.6754 3.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0987 -0.8138 3.9224 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7679 0.5946 3.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9539 -1.0636 2.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 -1.0839 5.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 0.1421 -3.5895 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3171 0.2284 -4.2085 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 1.4116 -3.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1907 1.7932 -2.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7689 3.0974 -2.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8366 4.1555 -1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5279 3.8669 -0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1284 4.1186 0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8993 4.7553 1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 3.9417 2.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 4.8512 2.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 4.4919 3.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3785 3.2884 3.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7207 3.1915 2.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 1.9333 3.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 1.8464 1.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8001 4.4098 -2.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0748 3.3672 -2.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3078 3.9943 -1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7999 2.4201 -1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5658 2.5022 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4772 0.9135 -2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3434 -0.6329 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4151 1.4760 0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6056 0.7450 2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5198 -0.2743 2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -0.5161 1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 -2.7488 1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -1.3849 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 -4.3851 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0847 -4.9716 -0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 -2.9211 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 -1.8740 -0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 -3.3111 -2.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0475 -3.7582 -4.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 -2.7161 -3.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8271 -4.4074 -3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7264 -2.1151 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5329 -3.6442 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 -6.1025 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 -5.7531 -2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3938 -5.5506 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 -6.6955 -2.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -4.6476 -3.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3192 -5.0335 -3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7966 -2.1910 -3.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 -0.8314 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 -0.1973 -1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8733 0.7053 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -2.4470 2.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 -2.1467 1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 -2.7025 4.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2814 -1.2507 4.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5281 1.1328 4.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7405 0.7590 4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7795 1.0363 2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5636 -0.6683 1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9129 -0.5110 2.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2558 -2.1354 2.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -0.2769 5.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4817 -2.0407 4.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 -1.1078 6.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 -0.4677 -4.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3445 0.9511 -4.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9195 2.1529 -4.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4887 1.0776 -1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8720 2.9364 -3.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2904 3.6105 -3.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3846 5.0304 -2.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8033 4.5767 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5280 3.3679 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8737 3.7762 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1457 4.8503 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0915 5.7840 1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 3.0343 1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7943 3.7366 3.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4076 5.0629 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5096 5.8517 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 5.3767 3.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 4.6089 4.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1637 3.3383 4.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9507 2.3338 3.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3058 3.1409 1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 4.0761 2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0742 2.0382 4.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 1.0278 3.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 2.2624 2.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4068 2.4925 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8707 0.8326 1.6331 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 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 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 37 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 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 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 23 82 1 0 24 83 1 1 25 84 1 0 25 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 34 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 36 98 1 0 37 99 1 6 38100 1 0 39101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 52125 1 0 M CHG 2 29 -1 33 1 M END