HMDB0040530 RDKit 3D Isopentyl 3-methyl-2-butenoate 30 29 0 0 0 0 0 0 0 0999 V2000 4.9165 -1.0410 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6887 -0.3899 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7381 0.6251 1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5266 -0.7345 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -0.1382 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 0.7279 0.9413 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0864 -0.5310 -0.5258 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1044 0.0609 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2454 -0.5729 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 0.0386 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5611 1.5206 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6748 -0.2945 1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1273 -1.9827 0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7657 -0.3459 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8793 -1.1505 -1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 1.6169 0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8186 0.7086 1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 0.2904 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4655 -1.4832 -1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2881 -0.2620 1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 1.1418 -0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 -0.4519 -1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2007 -1.6549 -0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3995 -0.3965 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 1.7973 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6216 1.8608 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0628 2.0725 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 0.4095 1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3438 -1.3217 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7372 -0.1194 1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 M END