HMDB0240250 RDKit 3D Phenyltoloxamine 40 41 0 0 0 0 0 0 0 0999 V2000 -4.9480 0.6246 0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5492 -0.1256 -0.3467 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8304 -1.5562 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 0.0714 -0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -0.5754 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9378 -0.3818 0.2072 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 0.7394 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6985 1.9571 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0892 3.1148 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 3.0063 0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 1.7986 -0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 0.6741 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6733 -0.6567 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 -0.9552 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0783 -0.7052 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 -0.9802 -0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6923 -1.5200 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 -1.7720 1.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3808 -1.4822 1.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0114 0.9584 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3551 1.5737 0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6994 0.1023 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 -2.1547 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9030 -1.6994 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6565 -1.8622 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 1.1464 -0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8642 -0.3840 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6078 -0.1082 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5443 -1.6547 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7317 2.0672 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 4.0244 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 3.8922 0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 1.7024 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5821 -0.7396 -1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 -1.4511 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8503 -0.2760 -2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1628 -0.7731 -1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7266 -1.7428 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9902 -2.1926 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6273 -1.7043 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 12 7 1 0 19 14 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 M END