HMDB0029397 RDKit 3D L-Nicotianine 28 28 0 0 0 0 0 0 0 0999 V2000 -3.1610 -1.8847 0.4344 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5775 -0.8775 -0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1935 -0.6171 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4203 0.4054 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9253 0.5680 -0.1741 N 0 0 0 0 0 4 0 0 0 0 0 0 1.1990 1.4576 0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 1.6304 1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4784 0.8406 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2268 -0.1002 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2508 -0.9631 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 -0.9473 -0.2493 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 -1.8789 -1.6256 O 0 0 0 0 0 1 0 0 0 0 0 0 1.9426 -0.1994 -0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4389 0.3159 -0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1528 1.2958 -1.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6355 0.4281 0.1661 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7187 -1.8081 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1941 -1.7653 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5561 -1.3455 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 -1.6024 0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -0.2796 1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 0.1651 -1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 1.3930 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3991 2.0792 1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6474 2.3653 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 0.9099 1.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -0.9223 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9387 1.3372 0.5407 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 2 0 2 14 1 0 14 15 2 0 14 16 1 0 13 5 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 13 27 1 0 16 28 1 0 M CHG 2 5 1 12 -1 M END