HMDB0031797 RDKit 3D 2-Isopropylphenyl methylcarbamate 29 29 0 0 0 0 0 0 0 0999 V2000 4.1695 -1.2981 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7701 -1.0140 -0.4461 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9225 -1.2777 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -1.8963 1.6565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -0.9388 0.2963 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2374 0.3166 -0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1122 1.3505 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6191 2.5808 -0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 2.7526 -0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5918 1.7066 -0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 0.4842 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 -0.5850 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4887 -0.1064 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9526 -1.1862 1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7762 -0.3674 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -1.7146 0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -1.9747 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1079 -1.4504 2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 1.2105 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 3.3763 -1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0881 3.7153 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6685 1.8960 -0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8671 -1.4201 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2316 -0.9173 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7894 0.7260 0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 0.1470 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -1.9804 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9395 -1.6868 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -0.4481 2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 11 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 12 23 1 0 13 24 1 0 13 25 1 0 13 26 1 0 14 27 1 0 14 28 1 0 14 29 1 0 M END