HMDB0059826 RDKit 3D alpha-Ionene 31 32 0 0 0 0 0 0 0 0999 V2000 4.2024 0.3961 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7173 0.4056 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 1.5588 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 1.5535 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1027 0.3693 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 -0.7821 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -0.7581 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 -2.0775 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2956 -2.0873 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1908 -0.9801 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 0.3821 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 1.0153 1.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1687 1.2002 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 0.8725 -1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 0.9981 0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -0.6331 -0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 2.4784 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0936 2.4805 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 -1.6651 -0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 -2.9503 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4637 -2.1008 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 -1.9309 1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8152 -3.0428 0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5132 -1.2349 -1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1485 -1.0191 0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 0.5795 1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1834 0.8649 2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1792 2.0931 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0342 0.6017 -2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 1.2225 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 2.1902 -1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 7 2 1 0 11 5 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 4 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 M END