HMDB0000772 RDKit 3D Nonadecanoic acid 59 58 0 0 0 0 0 0 0 0999 V2000 6.6722 0.6023 2.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3492 0.3531 0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0058 -0.9687 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5925 -1.2579 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 -0.5095 -1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4956 0.9319 -0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5493 1.4027 -1.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2526 0.6724 -1.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 0.8436 -0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2559 0.0825 -0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6421 0.5840 -1.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 -0.1286 -1.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7255 0.0429 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -0.6861 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8087 -0.5118 0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1226 -1.2607 0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9267 -1.1345 2.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2630 0.2741 2.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0583 0.9617 1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3748 2.1778 1.5929 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4984 0.4172 0.1997 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6862 1.1057 1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4769 -0.3753 2.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3713 1.2272 2.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4872 0.3187 0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2229 1.1962 0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5399 -1.0335 -0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5174 -1.7942 0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0497 -1.3994 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5492 -2.3538 -0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7472 -1.0355 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1616 -0.6468 -2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0449 1.2388 0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4170 1.5648 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 2.5042 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 1.1715 -2.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 1.1174 -2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -0.3967 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 0.4996 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 1.9247 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 -1.0203 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 0.2070 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 0.3141 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7364 1.6666 -1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5837 0.3511 -2.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -1.1809 -1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9172 1.1203 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1869 -0.3380 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9237 -1.7735 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6839 -0.3432 -1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9732 0.5617 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2272 -0.9304 1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9039 -2.3631 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6586 -0.9635 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8613 -1.7380 1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3434 -1.6162 2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 0.8132 2.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8827 0.2377 3.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4484 0.2300 -0.0599 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 21 59 1 0 M END