HMDB0014364 RDKit 3D Oxyphenonium 59 60 0 0 0 0 0 0 0 0999 V2000 -5.5178 -0.7794 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -0.1529 -0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -0.0532 -0.0341 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.3512 0.7776 -0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 0.6626 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1022 1.8965 1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6468 -1.3637 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 -1.6169 1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6512 -0.7684 1.3008 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -0.6836 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 -1.4348 -0.6366 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5022 0.2244 0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3604 0.8807 1.7001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4694 1.2403 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 2.5679 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 3.5807 -1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4434 3.3078 -2.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1867 1.9893 -2.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 0.9646 -1.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 -0.5036 0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -1.3972 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5103 -1.9499 -0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2017 -1.4600 0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3473 -1.7611 1.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -1.3441 1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1235 -1.1270 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9578 -1.6843 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3940 -0.1068 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7995 0.8325 -1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 -0.8028 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7842 0.1416 -1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9768 1.5306 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6146 1.3687 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 0.0519 2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2203 1.0077 1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1325 2.3379 0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7672 2.7118 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1737 1.7134 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -1.6256 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4756 -2.1316 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -1.5380 2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3847 -2.6551 1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 1.2267 1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9598 2.8739 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9257 4.6170 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 4.0895 -3.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9641 1.7544 -3.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9791 -0.0356 -2.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 0.2776 0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 -0.8829 -1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4232 -2.2618 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1838 -1.7050 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 -3.0788 -0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1377 -2.0723 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5332 -0.4085 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -2.8724 2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7447 -1.2975 2.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 -0.7963 2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3346 -2.2762 1.5938 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 3 5 1 0 5 6 1 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 12 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 19 14 1 0 25 20 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 4 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 13 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 24 56 1 0 24 57 1 0 25 58 1 0 25 59 1 0 M CHG 1 3 1 M END