HMDB0010575 RDKit 3D PG(16:0/18:2(9Z,12Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -0.1449 6.9703 7.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 6.8038 6.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4257 5.4951 5.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7006 5.3595 5.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 4.0562 4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6471 2.9143 5.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 2.0205 5.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8299 2.0421 4.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9319 0.8184 3.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 0.8490 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0344 2.0651 1.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9126 2.1611 0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 1.0258 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 1.1110 -1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9927 0.0236 -2.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 -1.3902 -1.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 -1.8881 -1.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9971 -1.4598 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 -0.7773 0.7037 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 -1.8404 0.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 -1.5380 1.2964 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3435 -0.8802 1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3698 0.3884 0.5766 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6134 0.9905 0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 0.3657 0.8321 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8386 2.3308 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1679 2.4195 -1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 1.6847 -2.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5445 1.9838 -3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6408 1.2516 -4.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 -0.1283 -4.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -1.2602 -3.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5912 -1.3546 -3.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8518 -1.4806 -4.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 -1.5717 -4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 -1.6737 -6.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 -1.7658 -5.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -1.9073 -7.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3749 -0.8529 -8.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 -0.6167 -8.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 -2.7706 2.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 -2.3016 3.2863 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3369 -3.5485 4.3649 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8112 -2.9814 5.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -4.5409 3.7714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9476 -4.4973 4.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 -3.8846 5.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 -4.7714 5.8768 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7239 -4.8789 4.6687 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 -6.1847 6.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0658 -6.1790 7.4611 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7086 7.1757 6.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0632 6.0553 8.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2604 7.8159 8.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5512 7.6581 6.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2991 6.8078 7.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 5.5411 5.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 4.6580 6.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7626 6.2325 4.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5519 5.4062 5.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8084 4.0596 3.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6427 4.1210 3.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7236 2.8212 5.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 1.1880 6.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6472 1.8829 5.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1394 2.9682 4.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 -0.1325 4.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 -0.1200 2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0966 3.0171 2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9736 2.0076 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 3.0982 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 2.1954 1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9568 1.1983 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 0.0779 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9288 1.2641 -0.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 2.0796 -1.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1234 0.2092 -3.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9477 0.1446 -2.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 -1.6354 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1571 -2.0066 -2.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8143 -1.7294 -2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 -3.0519 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3249 -0.9190 1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 -0.9236 2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.5377 0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6135 2.8688 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 2.9740 0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2755 2.2050 -2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 3.5149 -1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3135 2.1528 -1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 0.6511 -1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 1.8124 -4.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6818 3.1032 -3.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6224 1.3993 -3.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9216 1.9045 -5.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 -0.2190 -5.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6502 -0.4490 -4.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3951 -2.2202 -4.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5693 -1.2789 -2.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 -2.2414 -2.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1578 -0.4951 -3.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2512 -2.3926 -5.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1005 -0.6221 -5.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 -0.6263 -4.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0752 -2.3952 -4.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -2.5267 -6.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9703 -0.6833 -6.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1978 -0.9513 -5.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 -2.6978 -5.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 -2.0267 -6.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -2.9027 -7.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0277 -1.1846 -9.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 0.1159 -7.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 0.3787 -8.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9176 -0.4954 -9.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6872 -1.4610 -8.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -3.5237 1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3244 -3.1521 2.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -4.7240 4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7023 -3.7728 6.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 -2.9198 5.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7456 -4.3462 6.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 -5.3458 4.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -6.5712 5.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5363 -6.7755 6.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -6.8218 8.0773 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 2 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 21 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 1 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 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 40115 1 0 40116 1 0 41117 1 0 41118 1 0 45119 1 0 47120 1 0 47121 1 0 48122 1 1 49123 1 0 50124 1 0 50125 1 0 51126 1 0 M END