HMDB0094713 RDKit 3D N-Acetylisoputreanine 32 31 0 0 0 0 0 0 0 0999 V2000 5.0151 0.5854 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4991 -0.3600 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 -1.1766 -0.8633 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -0.4447 -0.5377 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 0.3590 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 -0.2385 -0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1574 0.6549 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4993 0.0807 0.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 0.2255 -1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 -0.5729 -1.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 -0.2359 -0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2159 -0.5003 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9869 -1.6602 1.1373 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3445 0.5160 1.6557 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7847 0.1189 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 0.8821 1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3911 1.5236 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -2.1090 -0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2831 1.3923 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 0.2937 1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7841 -0.2468 -1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 -1.2776 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 0.8125 1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 1.6685 -0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4512 -0.8980 0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 -0.0961 -1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1229 1.3062 -1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -0.3760 -2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -1.6676 -1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1672 -0.8710 -1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6658 0.8258 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3527 1.4860 1.4169 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 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 M END