HMDB0247278 RDKit 3D 7-Octadecynoic acid 52 51 0 0 0 0 0 0 0 0999 V2000 -7.0222 0.4637 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0905 -0.7377 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7044 -1.1429 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1591 0.0331 1.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8063 -0.3211 1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -0.6664 0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6747 0.5051 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 0.2032 -1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -0.1213 -0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 1.0151 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 0.5518 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 0.1592 0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8206 -0.3401 1.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.7038 1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0672 1.0542 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5037 -0.0881 -1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 -0.7370 -0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9663 0.1567 -0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8504 1.3302 -1.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1996 -0.3497 -0.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2558 1.3961 -0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0517 0.5497 -1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8326 0.3624 -1.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4467 -1.6421 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7586 -0.5729 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8529 -2.0005 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0757 -1.3433 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0918 0.9342 0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8675 0.2245 2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 0.5856 2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8968 -1.1329 2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -1.5863 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 -0.8500 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 1.3784 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6386 0.7885 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0628 -0.7193 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 1.0006 -2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3626 -1.0298 -0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4249 -0.2890 -1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.9414 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 1.2290 0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 -0.5248 2.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0562 -1.3192 1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 1.6023 1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8311 0.3372 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0926 1.4133 -0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7469 1.9187 -0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 -0.8172 -1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5743 0.3062 -2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0287 -1.5726 -1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7361 -1.1385 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2954 -1.1016 0.4185 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 3 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 20 52 1 0 M END