HMDB0287124 RDKit 3D PC(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 147147 0 0 0 0 0 0 0 0999 V2000 -4.8836 -0.3389 -9.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2529 -0.9358 -8.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6321 -2.2184 -8.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3662 -2.4651 -8.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4044 -1.4814 -7.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3361 -1.3118 -8.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -2.5449 -9.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 -1.5077 -8.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -1.6178 -7.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0039 -1.8255 -7.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 -0.9794 -6.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 0.2645 -5.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 0.1740 -4.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 0.2364 -3.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3423 0.4011 -3.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 -0.5493 -3.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -1.7185 -2.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 -2.4316 -2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 -3.7326 -2.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 -4.8487 -2.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -4.9750 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -5.7774 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 -5.9408 1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5752 -6.8241 1.6349 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0993 -5.1386 1.9214 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -5.3843 3.3075 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7601 -5.6801 3.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -4.4933 3.6462 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 -4.4276 4.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8218 -5.4427 4.5358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0314 -3.1657 3.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -3.0373 2.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 -3.1331 1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7594 -2.1407 1.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1748 -0.6943 1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0952 0.1486 1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1845 1.6302 1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1477 2.3482 1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9939 3.8650 1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1865 4.3270 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6219 5.1396 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 5.7075 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0497 7.1969 -0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 7.9592 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 7.6457 1.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 8.4863 2.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 8.3693 2.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4524 6.9450 3.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9594 6.8401 3.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6647 -4.1874 4.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8387 -3.0818 3.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4518 -1.7783 4.8247 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5563 -2.1271 6.2699 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 -1.4193 4.2287 O 0 0 0 0 0 1 0 0 0 0 0 0 1.4721 -0.4130 4.6303 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -0.3162 5.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 0.9038 5.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3775 1.1556 6.2501 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.9683 1.0524 7.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 2.5424 6.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5456 0.3346 5.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -0.4051 -10.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1959 0.6800 -9.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7953 -0.9312 -9.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6847 -0.2164 -7.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 -1.1855 -7.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3214 -2.9978 -8.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0084 -3.4837 -8.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9387 -1.8446 -6.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7809 -0.4872 -7.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6839 -0.8032 -9.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 -1.0128 -9.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 -2.6194 -6.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 -0.8972 -6.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 -2.7463 -7.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8556 -1.2068 -6.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0034 1.0705 -6.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.5429 -6.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7065 0.0456 -4.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1662 0.1888 -2.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 0.7604 -4.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 1.3753 -2.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7306 -0.2129 -3.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5413 -2.2566 -2.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5483 -1.9231 -2.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6991 -2.4862 -1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 -3.6848 -4.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 -5.8048 -2.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5922 -4.1107 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 -5.6922 -0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 -6.7194 -0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -5.1808 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7985 -6.2287 3.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3096 -6.5516 3.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8405 -5.8195 4.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 -3.1087 4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3659 -2.2887 3.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3582 -2.1207 2.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4698 -3.8945 2.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3939 -4.1450 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5064 -3.0970 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -2.2868 0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0352 -2.3348 1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 -0.3907 2.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 -0.4241 0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8293 -0.1438 1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5821 -0.0615 0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7284 1.9592 2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 1.8767 0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6088 2.0956 0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8267 2.0047 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 4.2732 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 4.1160 2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 3.9543 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1034 5.4031 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 5.3065 -0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 5.3735 -1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 7.5293 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5328 7.5401 -1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 7.8612 0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6211 9.0598 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8437 6.5929 1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 7.8459 1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 9.5695 2.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 8.1772 3.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5068 8.6860 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3547 9.0023 3.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0432 6.5346 3.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 6.3639 2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 5.8256 2.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3883 7.6233 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2263 7.0874 4.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -3.9863 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 -4.4781 5.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 -1.2593 5.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0351 -0.1033 6.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8958 4.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 1.7805 5.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 0.0028 7.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 1.5732 7.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 1.5801 8.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 3.2552 6.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9011 2.6493 6.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 2.7761 4.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3983 0.8066 6.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8024 0.4251 4.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4652 -0.6896 6.3499 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 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 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 40 41 2 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 26 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 8 6 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 6 27 94 1 0 27 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 59139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 61147 1 0 M CHG 2 54 -1 58 1 M END