HMDB0037697 RDKit 3D Isobutyl N-methylanthranilate 32 32 0 0 0 0 0 0 0 0999 V2000 -2.0934 -0.0455 2.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.0626 1.1573 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 -0.4820 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4624 -0.8714 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 -1.2857 -0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -1.3094 -2.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2819 -0.9356 -2.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 -0.5090 -1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 -0.1150 -1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2929 -0.1893 -2.6388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 0.3257 -0.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1053 0.6885 -0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 1.1323 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2564 1.4937 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 -0.0197 1.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9839 0.6218 2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 0.4442 3.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4503 -1.0456 2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 0.2444 1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8766 -0.8273 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2229 -1.5873 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1893 -1.6457 -3.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8224 -0.9583 -3.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5964 -0.2488 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1518 1.4260 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 2.0197 0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 2.5198 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9724 1.3686 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 0.7917 -0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -0.9722 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 0.0125 2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 0.0216 1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 8 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 12 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 14 28 1 0 14 29 1 0 15 30 1 0 15 31 1 0 15 32 1 0 M END