HMDB0298095 RDKit 3D DG(20:3(5Z,8Z,11Z)-O(14R,15S)/a-25:0/0:0) 140140 0 0 0 0 0 0 0 0999 V2000 1.7909 -6.5836 6.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9659 -5.2063 6.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 -4.1153 5.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 -3.9002 4.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -3.6020 4.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1669 -4.6155 5.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -3.9768 5.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 -5.0390 5.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8141 -4.7294 3.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1697 -5.2444 3.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5635 -6.1165 2.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 -6.7997 1.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1559 -6.3978 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 -5.8148 -0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -5.4661 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3265 -6.1921 -1.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5887 -5.6734 -2.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 -4.2014 -2.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 -3.9911 -2.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6232 -2.5859 -2.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 -1.7076 -3.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 -0.5357 -3.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4564 -2.0915 -4.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2313 -1.0876 -5.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 -1.4250 -6.7782 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0550 -2.5316 -7.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -2.8183 -8.7312 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -0.1957 -7.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 0.4061 -7.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 -0.1213 -7.3149 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1273 1.6972 -8.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8722 2.5866 -8.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 2.7001 -6.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3361 3.5281 -6.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 3.4172 -4.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 4.2001 -3.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1936 3.8038 -2.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0682 4.4335 -1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9234 5.9271 -1.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8983 6.3158 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 7.7499 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 8.4213 0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8742 8.3308 1.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3006 7.0384 2.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 6.0424 2.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6642 4.7214 3.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 3.7557 2.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8422 4.0731 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 2.8669 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 1.6798 1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 1.8954 1.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 2.3369 0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2672 0.5560 2.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0802 0.1479 3.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -6.8739 5.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1872 -7.2969 6.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 -6.7039 5.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9365 -5.2173 7.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 -5.0010 7.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 -4.2880 5.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 -3.1548 6.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -4.7427 3.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 -3.0010 3.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -2.7109 5.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8565 -3.1622 4.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 -5.1835 6.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8767 -5.9868 5.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -3.6148 3.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0405 -5.0746 2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9522 -4.8042 4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6351 -6.3778 2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -7.8934 1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 -6.5614 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2093 -6.6099 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8759 -5.5336 -1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -5.8510 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8891 -4.3867 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5036 -7.2816 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1791 -6.3228 -3.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 -3.6014 -1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 -3.8748 -3.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5997 -4.5243 -3.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5307 -4.5726 -1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 -2.1178 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7389 -2.5898 -2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2374 -0.7739 -5.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 -0.2154 -5.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6634 -1.6745 -6.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9686 -2.2511 -7.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 -3.4533 -7.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 -3.2693 -8.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 2.2222 -8.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2282 1.4624 -9.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 2.1000 -8.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 3.5252 -8.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7746 3.2033 -6.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7877 1.6971 -6.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 3.0248 -6.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3607 4.5527 -6.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6728 3.7963 -4.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4217 2.3456 -4.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3622 3.8372 -4.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 5.2769 -4.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 3.8611 -2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 2.6902 -2.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 4.1851 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 3.9046 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9053 6.2481 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 6.4082 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9862 5.5809 0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 6.1854 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7084 7.9135 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 8.3058 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9448 8.4644 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 9.5759 0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 9.0402 1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 8.8353 2.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 7.2324 2.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3554 6.6023 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 6.5219 3.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 6.1017 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 4.1802 3.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 4.9296 3.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 3.3939 1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0702 2.7861 2.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 4.7415 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 4.6349 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 3.2114 -0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2482 2.6036 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 1.2201 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8991 0.8899 0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7804 2.6242 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1723 3.4526 0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0354 1.9054 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 2.1211 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0909 0.7990 3.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5365 -0.2207 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5324 1.0729 3.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3637 -0.4712 2.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4096 -0.3173 4.3189 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 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 25 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 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 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 8 6 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 1 26 89 1 0 26 90 1 0 27 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 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 52133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 54140 1 0 M END