HMDB0288856 RDKit 3D PC(2:0/18:1(12Z)-2OH(9,10)) 94 93 0 0 0 0 0 0 0 0999 V2000 12.4114 1.4980 -0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9837 1.0400 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3902 2.0078 0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0626 1.5710 1.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9405 1.4134 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9850 0.3978 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0094 -0.6077 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -0.5416 0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7111 -1.9858 1.0929 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8188 -2.6896 1.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9566 -2.6245 -0.0843 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5745 -3.8958 0.2932 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7788 -1.8279 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8623 -0.4850 -1.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 0.1581 -0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 -0.5736 -1.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1904 0.3710 -0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 0.0762 0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1211 0.9794 1.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5573 1.0899 1.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0783 1.5021 2.8475 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4413 0.8726 0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 1.0410 0.9955 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1418 -0.4177 1.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9886 -1.4324 0.7109 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4188 -1.6797 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2893 -2.8745 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8385 -0.6497 -0.9943 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8005 1.2092 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5983 2.2288 0.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1024 2.0695 0.8604 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.1665 2.4130 2.4346 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9882 3.4737 0.2861 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.0251 0.7878 0.6924 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9865 -0.1375 -0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3823 0.1551 -0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4493 0.0838 -0.0718 N 0 0 0 0 0 4 0 0 0 0 0 0 -11.2475 1.3118 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3220 -1.0378 -0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1792 0.0537 1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9427 1.5453 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2195 2.4992 -0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7656 0.7421 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3883 1.0349 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0294 0.0320 0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 3.0242 0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0669 2.0184 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2541 0.5376 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6987 2.1985 2.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8796 2.4173 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9479 1.4062 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5844 0.2789 -1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0466 -1.3888 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3668 0.1962 0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8364 -0.3507 1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9567 -1.9562 1.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3809 -2.8625 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 -2.7332 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3562 -4.5422 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 -2.4673 -1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9898 -1.8078 0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6033 0.2376 -0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -0.6045 -2.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5615 1.1323 -1.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 0.5631 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.5414 -1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 -0.4202 -2.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4165 1.3732 -1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6472 -0.0605 -1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 -0.4497 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3335 -0.8711 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3769 2.0055 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 0.6056 2.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 1.5905 1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1944 -0.2810 1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5377 -0.4995 2.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0064 -2.5218 -2.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1655 -3.5362 -1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3481 -3.3869 -0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2853 0.3128 -0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2806 1.6600 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2113 -1.1572 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2986 -0.2106 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2277 1.2213 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4251 -0.4997 -1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2658 1.1095 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7819 1.9080 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1689 1.9779 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2575 -1.2199 -1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3730 -0.8676 -0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9743 -1.9514 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1920 -0.1076 1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9131 1.0796 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5543 -0.7558 1.6939 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 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 26 28 2 0 23 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 3 47 1 0 4 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 1 10 57 1 0 11 58 1 6 12 59 1 0 13 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 23 74 1 1 24 75 1 0 24 76 1 0 27 77 1 0 27 78 1 0 27 79 1 0 29 80 1 0 29 81 1 0 35 82 1 0 35 83 1 0 36 84 1 0 36 85 1 0 38 86 1 0 38 87 1 0 38 88 1 0 39 89 1 0 39 90 1 0 39 91 1 0 40 92 1 0 40 93 1 0 40 94 1 0 M CHG 2 33 -1 37 1 M END