HMDB0243767 RDKit 3D {(2s)-7-Nitro-2-[(Propan-2-Ylamino)methyl]-1,2,3,4-Tetrahydroquinolin-6-Yl}me... 41 42 0 0 0 0 0 0 0 0999 V2000 4.8978 1.3075 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1299 0.0515 -0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0547 -0.8109 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9332 0.4128 0.0383 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1184 -0.7453 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8819 -0.3125 1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -1.5027 1.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8564 -1.8906 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 -0.7344 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1077 -0.8744 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 0.2369 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3439 0.0013 -0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -1.3741 -0.8046 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4284 1.5203 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2504 2.6800 -0.5919 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.2035 2.6437 -1.3774 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9915 3.8456 0.0799 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0811 1.6607 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 0.5652 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1055 0.6666 0.4091 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5601 2.1157 -0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 1.1676 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7623 1.5820 -2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8555 -0.5126 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9529 -0.5207 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1212 -0.6534 -0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8576 -1.8945 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 1.0018 0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.2886 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 -1.4093 1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 0.0747 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -2.3656 1.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7028 -1.1528 2.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 -2.7921 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2286 -2.0794 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5203 -1.8829 -0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6203 0.4186 -1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 0.4556 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3192 -1.8083 -1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6549 2.6503 -0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6021 1.5468 0.0793 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 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 2 0 19 20 1 0 20 6 1 0 19 9 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 10 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 18 40 1 0 20 41 1 0 M CHG 2 15 1 17 -1 M END