HMDB0037369 RDKit 3D Butyl 2-decenoate 42 41 0 0 0 0 0 0 0 0999 V2000 -6.1867 -0.0475 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9492 -0.8212 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9509 -0.0381 -1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6868 0.0901 -0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6781 0.8584 -1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 1.0539 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7035 -0.2494 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5739 -0.0606 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 1.1300 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 1.2695 1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8097 2.4238 1.3373 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 0.2069 1.5037 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3591 0.2906 2.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4203 1.0091 1.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7127 0.3239 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1785 -1.0876 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2209 1.0277 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1272 -0.4091 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3711 -0.2512 1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6057 -1.8495 -0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9006 -0.8328 -1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6966 -0.6247 -2.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3652 0.9124 -1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8937 0.6365 0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -0.9331 -0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5417 0.3916 -2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1142 1.8609 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 1.6535 -1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5721 1.6477 -0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 -0.7552 0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 -0.9435 -1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1407 -0.9291 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5321 1.9819 0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 -0.7569 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 0.7479 3.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3635 0.9402 1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2182 2.0797 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3999 0.9096 -0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7227 0.2953 -0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1343 -1.2276 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 -1.8350 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4599 -1.2552 1.3969 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 M END