HMDB0302623 RDKit 3D Pentadecenoic acid 45 44 0 0 0 0 0 0 0 0999 V2000 -5.8078 2.2216 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4458 1.2217 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0857 0.6466 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6126 -0.3591 -1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 -0.8805 -1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 -1.5364 0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0111 -2.1128 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0567 -1.0656 0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -1.6864 1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 -0.6641 1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7238 -0.0047 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 1.0335 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1025 0.4413 0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2497 0.3950 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5443 0.9461 -1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7406 0.8069 -1.8562 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6699 1.6163 -2.2091 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7364 3.2667 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0845 2.2097 1.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8406 2.0942 0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2107 0.4111 -0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4770 1.6330 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3835 1.4882 -0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2382 0.1964 0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3394 -1.1913 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5134 0.1029 -2.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 -1.5821 -1.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 -0.0325 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 -2.3568 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6121 -0.7682 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -2.5439 1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 -2.9262 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 -0.6370 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2636 -0.2488 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6416 -2.4954 0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 -2.1829 2.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0856 0.1439 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3758 -1.0963 1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 -0.6935 -0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 0.5751 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5152 1.8756 0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 1.4582 -0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0862 -0.0447 1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1162 -0.1130 0.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8710 2.4381 -2.7485 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 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 3 14 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 17 45 1 0 M END