HMDB0262440 RDKit 3D PE(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,14Z)-O(11S,12R)) 130130 0 0 0 0 0 0 0 0999 V2000 14.4361 4.8334 1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1048 4.3002 1.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0822 4.3005 0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4764 3.2116 0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8056 1.8742 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3195 0.9783 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8231 -0.1732 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6491 -0.7424 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9495 -2.0897 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3675 -3.1754 0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3316 -3.3734 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8088 -2.2984 -1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5142 -1.9192 -1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -2.5734 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3894 -3.1961 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2804 -2.5039 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4268 -1.3702 -2.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6619 0.0007 -2.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 0.6332 -1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 -0.0626 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 -0.3381 0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 -0.4902 0.0396 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 -1.1609 1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0488 -1.5870 1.2298 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2092 -2.4368 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 -1.6359 -1.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 -2.4166 -2.5765 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1525 -2.6046 -3.2717 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 -1.5071 -3.6296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8799 -3.9458 -2.3981 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 -4.0292 -3.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -5.4304 -2.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -6.3611 -3.3803 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 -0.4873 1.1181 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8464 -0.2924 2.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9426 -1.1214 3.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 0.8394 1.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 1.6719 0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3767 2.8488 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3034 3.6546 1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 3.9086 2.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6765 3.4317 2.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1032 2.6303 3.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 1.3992 3.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5392 0.6497 2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9707 0.1766 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5161 -0.6471 2.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9792 0.6777 2.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4249 0.8802 2.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4499 1.8589 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8824 1.6491 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4115 0.3383 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8599 0.4223 -0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0108 1.3506 -1.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4727 1.3759 -2.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2375 1.8764 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0386 5.2767 2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0101 3.9634 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2366 5.5962 0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7504 5.0838 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2884 3.4078 2.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8241 5.2822 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7370 3.2820 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7856 1.5345 1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4082 1.9083 1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2036 1.3140 -0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3015 -0.7410 -1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6845 -0.5743 -0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5552 -0.1028 1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7289 -2.1250 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7242 -4.1068 1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5091 -3.9945 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7420 -4.2082 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4729 -1.7365 -1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 -1.1198 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9437 -3.2556 0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0847 -1.7322 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8128 -3.9954 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9121 -3.9282 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 -2.3255 -0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7212 -3.3138 -2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5365 -1.2748 -3.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2621 -1.6514 -3.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9611 0.6384 -2.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5025 0.0764 -1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 1.6872 -1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 0.7245 -2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 -0.4549 2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 -2.0444 1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 -2.1951 2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 -2.8405 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5579 -3.2604 -0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2263 -0.5616 -3.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 -3.8158 -4.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 -3.3092 -2.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6626 -5.5754 -1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6396 -5.5676 -3.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 -5.8839 -3.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3318 -7.0534 -2.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 1.4911 2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7857 0.4467 1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 2.0782 0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3219 1.0827 -0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9632 3.4027 -0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3189 2.3813 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2821 4.0588 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 4.5402 3.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8869 3.0259 1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3627 4.3612 2.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0919 3.1233 4.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7926 0.8216 4.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0936 1.0754 1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9712 -0.3336 2.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3183 -0.0215 0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6733 1.3087 3.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9494 1.3841 3.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9469 -0.0536 2.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0777 2.8802 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8566 2.4626 -0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2815 -0.4208 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8061 -0.0280 -1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4534 0.8585 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1783 -0.5969 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7386 2.3790 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3809 1.0007 -2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6141 2.0653 -3.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8415 0.3828 -2.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6274 2.6551 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4105 0.9933 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1810 2.3652 -1.4390 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 1 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 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 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 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 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 48 46 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 1 25 91 1 0 25 92 1 0 29 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 56130 1 0 M END