HMDB0062644 RDKit 3D N(1)-acetylsperminium(3+) 48 47 0 0 0 0 0 0 0 0999 V2000 8.3554 -0.0967 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9353 -0.0175 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5473 0.3326 1.3631 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0354 -0.2824 -0.7892 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -0.2155 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -0.8274 -1.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 -0.7257 -1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 0.6684 -0.9523 N 0 0 0 0 0 4 0 0 0 0 0 0 0.6524 0.9379 -1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1056 0.4933 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5874 0.7499 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2732 0.2752 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6992 0.5099 1.0119 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.3428 -0.7806 0.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6885 -0.6633 1.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4929 0.4037 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6517 -0.0233 -0.4974 N 0 0 0 0 0 4 0 0 0 0 0 0 8.5150 -0.8147 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9771 -0.3760 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7062 0.9246 -0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 0.7171 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 0.8046 -0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4306 -0.8209 0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 -0.2124 -2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0338 -1.8870 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 -1.3328 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 -1.1263 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 1.0016 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 1.2142 -1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2632 0.3850 -2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 2.0339 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 0.9667 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 -0.5926 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 0.1742 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 1.8380 -0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 0.8727 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0619 -0.7693 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 1.0723 1.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8967 1.0563 0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -1.5825 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4783 -1.0155 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5151 -0.3105 2.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2071 -1.6227 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4647 0.5819 1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9225 1.3505 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8253 0.2345 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8187 -1.0427 -0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4846 0.5162 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 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 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 17 48 1 0 M CHG 3 8 1 13 1 17 1 M END