HMDB0289172 RDKit 3D PC(18:1(9Z)-O(12,13)/DiMe(13,5)) 152153 0 0 0 0 0 0 0 0999 V2000 3.3086 3.7621 5.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9704 2.4451 5.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 1.7566 4.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 0.4294 3.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0268 -0.1752 2.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -1.4811 2.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2782 -1.7344 1.3661 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6135 -2.9769 1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4139 -3.6699 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -2.6770 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5756 -3.3854 -1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0243 -2.6311 -3.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 -2.2061 -4.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8769 -1.3703 -3.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -0.9824 -4.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7714 -0.1845 -5.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2913 1.1624 -5.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 2.2628 -5.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 2.2108 -4.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4137 2.2230 -2.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 2.0765 -1.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9848 1.7274 -0.5565 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 2.3377 -1.7816 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3471 2.1777 -0.6374 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2514 1.1883 -0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 1.6042 -1.9127 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6234 0.7352 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7034 -0.4209 -1.8298 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 1.1054 -3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 -0.0939 -3.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3692 -1.0126 -4.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 -2.2041 -5.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6693 -3.1626 -4.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7519 -3.7322 -3.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5383 -4.7949 -2.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5866 -5.3042 -1.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 -5.3405 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8382 -4.9504 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -4.5054 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 -5.3925 -0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3397 -5.2475 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6841 -4.6078 0.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2732 -4.1509 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6554 -3.5388 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5962 -2.3493 0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6956 -1.2617 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8046 3.5272 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0194 3.4658 0.8698 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 5.0238 1.2631 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9887 5.1396 0.7904 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3361 6.2106 0.4467 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5515 5.2756 2.9299 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 4.0870 3.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 4.2746 5.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7091 5.0612 5.6143 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.7908 6.3697 5.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 5.2640 7.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 4.3793 5.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 -3.6188 2.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 -5.0530 2.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 -2.6595 3.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6851 -2.9092 4.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5927 4.0032 4.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0399 4.5942 5.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7637 3.7024 6.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8872 1.7946 6.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0422 2.5863 5.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 2.3886 3.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1594 1.6609 4.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7262 -0.2251 4.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 0.5864 3.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 0.5147 2.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0009 -0.2878 3.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8546 -4.5217 -0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3215 -4.0411 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8965 -2.1101 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4393 -1.9292 -0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0286 -4.3105 -2.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4749 -3.8763 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7388 -1.7885 -2.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7503 -3.3331 -3.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 -3.1529 -4.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5672 -1.6553 -4.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1354 -2.1107 -3.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0243 -0.6082 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9151 -2.0158 -5.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0609 -0.7102 -4.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 -0.0757 -6.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -0.8524 -6.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1265 1.1963 -4.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 1.4856 -6.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6319 2.4359 -6.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 3.2173 -5.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0232 3.2181 -4.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7677 1.4893 -4.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3096 1.6057 -2.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 3.2887 -2.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 1.8051 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 0.2022 -1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 0.9843 0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 1.6898 -4.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4009 1.7137 -2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8166 -0.6630 -3.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0748 0.3233 -4.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8775 -0.4133 -5.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5462 -1.3035 -3.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7321 -1.9249 -6.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -2.8031 -5.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9829 -4.0332 -5.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5865 -2.7294 -3.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8844 -4.2461 -3.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -2.9597 -2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2816 -4.1426 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0299 -5.5131 -3.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6184 -5.6971 -1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8493 -5.7766 0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 -4.0863 1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0288 -5.7531 1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -3.4085 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1279 -6.1822 1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5484 -3.7042 1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3549 -5.3244 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3433 -5.0171 -1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6409 -3.3873 -0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0513 -3.2473 -1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3453 -4.3038 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2794 -2.6625 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6090 -1.9282 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6584 -1.6135 0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9174 -1.0592 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8115 -0.3293 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 3.9722 -1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6679 4.1935 0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 3.6262 3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1483 3.3740 3.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3212 4.6808 5.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 3.2458 5.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3008 7.0293 5.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 6.7580 4.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 6.3991 4.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 4.2955 7.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 5.3793 7.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0384 6.0999 7.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 3.3015 5.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6239 4.7559 6.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5262 4.5912 4.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7742 -5.1680 3.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5597 -5.6390 1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -5.3822 2.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -3.9651 4.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3196 -2.7672 5.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7787 -2.2799 4.4139 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 1 0 11 12 1 0 12 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 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 27 28 2 0 27 29 1 0 29 30 1 0 30 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 2 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 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 8 59 2 0 59 60 1 0 59 61 1 0 61 62 1 0 61 6 2 0 41 39 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 24 98 1 1 25 99 1 0 25100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 56138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 57143 1 0 58144 1 0 58145 1 0 58146 1 0 60147 1 0 60148 1 0 60149 1 0 62150 1 0 62151 1 0 62152 1 0 M CHG 2 51 -1 55 1 M END