HMDB0253703 RDKit 3D Isovaleryl diethylamide 30 29 0 0 0 0 0 0 0 0999 V2000 1.9820 -2.2084 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 -1.1978 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 0.0969 0.0562 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4788 0.9709 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5227 1.8554 -1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 0.5120 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 1.6574 1.1736 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 -0.3130 0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1285 0.0105 -0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 1.4208 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3131 -0.9346 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -2.2251 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5427 -2.0410 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 -3.2282 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5414 -1.5978 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2563 -1.1746 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 1.6456 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 0.3656 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0406 2.8436 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0133 1.3893 -2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5892 2.0963 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5624 -0.1655 1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9041 -1.4020 0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7508 -0.1923 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4656 1.5331 -0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8776 2.1687 -0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1098 1.6225 0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2575 -0.4961 -0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1052 -1.9331 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 -1.0792 0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 5 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 11 30 1 0 M END