HMDB0282872 RDKit 3D PS(20:3(6,8,11)-OH(5)/20:5(5Z,8Z,11Z,14Z,17Z)) 133132 0 0 0 0 0 0 0 0999 V2000 -9.9144 0.0210 6.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5658 -0.0476 5.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8888 -1.2386 6.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5425 -2.2403 5.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6888 -2.5378 4.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3786 -1.6464 3.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8732 -1.0022 2.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4499 -1.1522 1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7066 0.1325 1.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1233 0.5384 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1333 -0.2092 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7031 0.7489 -1.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0556 1.1731 -2.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 0.7244 -2.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6598 0.0534 -4.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9116 0.4386 -5.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 1.5982 -5.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5774 1.2388 -5.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 0.6093 -6.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2568 0.2676 -6.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -0.2377 -7.5609 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 0.5350 -5.4424 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 0.2987 -5.1846 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2830 -0.6739 -4.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5002 -1.0497 -3.5239 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5099 -1.7330 -4.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3434 -2.0987 -5.3119 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7906 -2.0504 -3.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4954 -2.9984 -2.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7109 -3.3529 -1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3843 -4.2802 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8312 -5.4626 -0.7587 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 -3.6576 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5633 -3.6000 1.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5808 -2.9899 2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 -2.9539 4.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8928 -2.3722 5.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6572 -1.7837 4.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 -0.4971 4.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1075 0.0799 4.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 1.2445 3.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1594 0.8615 2.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5437 -0.2097 1.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 0.1617 0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6928 -1.0008 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6549 -0.6876 -0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 -1.8431 -1.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 1.5828 -4.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 1.9630 -3.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9655 3.3243 -2.8251 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2617 4.4232 -3.8024 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3778 2.8903 -1.9637 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 3.8451 -1.7321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6271 5.2018 -1.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5343 5.4907 -0.6626 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3327 4.8346 -1.1425 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 6.9344 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 7.6372 -0.0583 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 7.4836 -0.6896 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3774 1.0013 6.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4958 -0.8454 6.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6863 0.0268 7.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6850 0.1436 4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9954 0.8417 6.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6597 -1.2677 7.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0178 -3.0669 6.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3550 -3.5138 4.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 -3.0229 3.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4657 -1.4851 3.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5177 -0.3257 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9588 -1.7267 2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3272 -1.8205 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6539 0.7413 2.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5885 1.5046 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9227 -1.0320 -0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 -0.6341 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7244 1.0936 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5965 1.8749 -3.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9473 1.5504 -2.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2977 -0.0652 -2.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3068 -0.8307 -4.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9244 -0.0995 -6.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1851 2.3028 -4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2444 2.2285 -6.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 2.1949 -5.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 0.5651 -4.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 -0.2962 -6.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 1.3466 -7.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8726 -0.1476 -5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6707 -0.1793 -3.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 -1.5325 -4.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2943 -1.1283 -3.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 -2.5755 -4.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 -2.4622 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -3.9131 -2.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4499 -3.8717 -2.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 -2.4394 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3045 -4.4485 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 -5.4869 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4593 -3.2243 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4822 -4.0263 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 -2.5631 2.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7502 -3.4144 4.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6479 -3.2035 5.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4735 -1.5817 5.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9152 -2.3643 3.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 0.1081 5.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 -0.6837 3.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4345 0.3727 5.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9346 1.9927 3.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 1.7368 3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1437 0.4786 2.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 1.7539 1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 -1.1665 1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2511 -0.3930 0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2935 1.0389 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 0.4291 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -1.9185 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4026 -1.1869 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 -0.4841 0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 0.1996 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 -2.6449 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 -1.4988 -2.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 -2.2409 -1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0805 1.3555 -4.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 2.3479 -5.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1108 3.4287 -2.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3529 5.5751 -2.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 5.6408 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8226 5.0109 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 5.3292 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3301 4.5773 -0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 6.9253 -0.8229 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 1 0 15 16 2 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 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 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 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 2 0 57 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 6 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 33100 1 0 34101 1 0 35102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 52127 1 0 54128 1 0 54129 1 0 55130 1 1 56131 1 0 56132 1 0 59133 1 0 M END