HMDB0297406 RDKit 3D DG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0/a-13:0) 102101 0 0 0 0 0 0 0 0999 V2000 -15.0775 -1.8559 1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4518 -0.7539 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6928 0.4999 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1026 1.6279 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0156 1.9628 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4936 1.0101 -1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2685 0.5464 -1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2983 0.9607 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8313 -0.2192 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5625 -0.5424 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4952 0.1835 -0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5212 0.6908 0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2603 0.3712 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6787 -0.5066 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3772 -0.7919 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7741 -1.6994 -1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 -2.7078 -1.3837 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5707 -2.3829 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 -1.4503 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 -0.6507 -1.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0544 0.3058 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 1.4539 -1.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0595 -0.0495 -0.0817 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1561 0.6816 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1225 1.0792 -0.7120 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5194 1.8881 -1.6405 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 1.6959 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 0.8962 0.8089 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 -0.3484 0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4195 -0.8071 -0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2063 -1.1938 1.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3533 -0.6790 2.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5657 -0.2989 1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3966 0.8093 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5990 1.2741 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2675 0.4212 -1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8533 -0.8757 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8870 -0.9899 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1566 -0.2484 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9201 -0.5737 -1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1812 1.1987 0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8459 1.5072 1.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9931 -2.0990 1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3596 -1.4119 1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6717 -2.7338 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7581 -0.8789 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4560 -1.1110 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5237 0.4770 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4733 2.5013 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3871 2.8478 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2753 2.5484 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1872 0.7040 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9680 -0.1841 -1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4412 1.4259 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6548 1.7571 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5246 -0.8388 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2616 -1.4371 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7876 0.9278 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9650 -0.6063 -0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8662 1.3725 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 0.7904 1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2109 -0.9650 -0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7469 -0.3701 0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5616 -1.1772 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1374 -2.5516 -2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8527 -3.0248 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -3.0402 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7633 -0.8189 0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6321 -2.0833 0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -1.3438 -2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -0.0512 -1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 1.5852 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 0.0185 1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 0.1285 -1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0975 2.1620 -2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1641 2.7083 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0587 1.8972 -1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 -2.2184 1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3952 -1.4710 2.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 0.2259 2.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6278 -1.3962 3.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0370 -1.2259 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3287 0.0698 2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0505 1.7107 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5448 0.6420 -0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2290 2.2219 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2894 1.7061 0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4365 0.1660 -1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9362 1.0539 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3301 -1.2386 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0832 -1.6577 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1258 -2.0963 0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4059 -0.7529 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8538 -0.7018 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3773 -0.1858 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8706 0.0014 -1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1912 -1.6310 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2252 1.5913 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5306 1.7991 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8015 1.6655 2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2747 2.4730 1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3357 0.6845 2.3010 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 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 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 39 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 15 63 1 0 16 64 1 0 17 65 1 0 18 66 1 0 18 67 1 0 19 68 1 0 19 69 1 0 20 70 1 0 20 71 1 0 24 72 1 0 24 73 1 0 25 74 1 6 26 75 1 0 27 76 1 0 27 77 1 0 31 78 1 0 31 79 1 0 32 80 1 0 32 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 42102 1 0 M END