HMDB0303440 RDKit 3D xi-3-Nonenoic acid 27 26 0 0 0 0 0 0 0 0999 V2000 3.4134 1.0859 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5242 -0.0883 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 0.4435 -0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -0.7370 -1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0386 -1.6292 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 -1.3602 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8376 -0.4002 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9806 0.8212 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4578 0.8584 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2703 1.0884 0.6771 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 0.6473 -1.5532 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0528 1.5516 1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4028 0.5952 0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5672 1.7778 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -0.6173 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1451 -0.7001 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 1.1640 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 0.9613 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 -1.3984 -1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 -0.4807 -2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 -2.0450 0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -2.6332 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 -2.2092 1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -0.4776 1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.8982 -0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8693 1.7333 0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6246 1.1503 -1.9710 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 11 27 1 0 M END