HMDB0036791 RDKit 3D Isokobusone 38 39 0 0 0 0 0 0 0 0999 V2000 2.6457 -1.3209 1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1982 -1.0237 0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0337 -1.7782 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.9604 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8467 -0.1132 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 1.3022 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2919 1.3976 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3164 -0.1275 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2414 -0.5110 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6622 -0.8507 -1.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0361 2.1237 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4585 3.1926 0.9914 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2762 1.5473 1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2437 1.3881 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 0.0321 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9094 -0.3664 -1.5097 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 -2.0928 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 -0.8338 2.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4515 -2.5338 -0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5543 -2.3795 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 -0.3882 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -1.6927 -1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -0.1888 1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 1.3835 -1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 1.9421 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8138 1.6671 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1119 0.2164 1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0408 -1.5467 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 -0.4158 0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 -1.9236 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7305 -0.6023 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 -0.5194 -2.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6572 2.2709 1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1251 0.6014 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 1.6527 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0352 2.1856 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 0.1328 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 -0.8667 -1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 6 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 2 1 0 8 5 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 M END