HMDB0299321 RDKit 3D DG(18:3(9,11,15)-OH(13)/i-16:0/0:0) 109108 0 0 0 0 0 0 0 0999 V2000 16.1258 -0.4179 3.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0184 0.7379 2.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7624 0.6701 2.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8878 -0.3071 2.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6335 -0.4571 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4354 0.6644 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3423 1.8807 1.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2831 0.4721 -0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9489 1.3262 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7789 1.0723 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 1.9364 -3.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3641 1.8714 -4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4109 0.7487 -4.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5541 0.7089 -2.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6916 -0.5291 -2.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7638 -0.6519 -1.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8006 0.4849 -1.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8767 0.3748 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0055 -0.8254 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0902 -1.6225 -1.4374 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0994 -1.0818 0.5144 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1954 -2.1052 0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 -2.1565 -0.1584 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8336 -2.4884 -1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -1.3487 -2.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 -1.1064 -0.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -1.2513 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6224 -2.4341 0.6881 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2402 -0.1460 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9178 0.1593 -0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6571 -0.8891 -1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8404 -1.5665 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0873 -0.8450 -0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2356 0.2019 0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0566 -0.1572 1.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0227 -1.2122 2.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4670 -0.8486 2.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8639 0.3807 2.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3230 0.7157 2.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6824 0.9770 1.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1440 1.3095 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4394 1.5629 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5886 2.5148 1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1622 -0.3562 4.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3526 -0.3633 4.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1079 -1.3558 3.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0729 1.7255 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8461 0.6885 2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5711 1.4479 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1354 -1.0771 2.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5998 -1.4377 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7889 -0.4420 2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3582 0.7131 -0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6985 2.4734 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6484 -0.4026 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5300 2.2133 -1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 0.1880 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 2.8230 -3.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7654 2.8316 -4.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7373 1.9017 -5.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6953 0.8497 -4.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9118 -0.2295 -4.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8343 1.5981 -2.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 0.8074 -1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 -0.5552 -3.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 -1.4399 -2.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -0.7428 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 -1.6085 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 1.4458 -1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 0.4836 -2.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 0.4443 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2327 1.3058 -0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0236 -2.3067 1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -3.0626 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 -3.0747 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -3.2907 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -2.8345 -1.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4819 -1.4788 -3.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5949 0.7637 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8826 -0.2203 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 0.4409 -1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4807 1.0886 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8928 -1.6569 -1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9881 -0.4411 -2.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5498 -2.2347 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 -2.3679 -1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3655 -0.3517 -1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9138 -1.6212 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6545 1.1031 0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3155 0.5707 0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2847 0.7680 2.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0422 -0.4553 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8418 -2.1987 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8208 -1.3474 3.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0467 -1.7349 2.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6732 -0.6930 1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2388 1.2583 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6791 0.1892 3.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5678 1.5534 3.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8914 -0.1719 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0850 1.7945 0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5354 0.0003 0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7849 0.4367 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4436 1.2640 -0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2054 2.6423 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6669 0.9942 -0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9661 3.3981 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6183 2.7777 1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6991 2.3515 2.9441 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 1 0 6 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 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 2 0 27 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 41 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 22 73 1 0 22 74 1 0 23 75 1 1 24 76 1 0 24 77 1 0 25 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 42104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 43109 1 0 M END