HMDB0002396 RDKit 3D Trimethyltridecanoic acid 50 49 0 0 0 0 0 0 0 0999 V2000 -6.1997 1.4955 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8383 0.7484 -0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 -0.6092 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 1.5320 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4549 1.0558 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 -0.2550 1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7036 -0.5722 1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5657 -1.9107 1.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -0.3788 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 -0.7046 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0513 -0.4704 -1.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 -0.7233 -1.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9099 -2.1477 -1.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5105 0.2525 -1.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 0.6345 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 1.5932 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8780 1.0764 0.3381 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 2.9302 0.5356 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 2.5589 -0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7273 1.1668 -1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6884 1.2459 0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5419 0.5940 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7461 -0.6598 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -1.3911 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 -0.7784 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2813 1.6287 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8626 2.6062 -0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0844 0.9650 -0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8275 1.8380 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5862 -0.3539 2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5985 -1.1282 0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3393 0.1834 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3431 -2.0161 2.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -2.1067 2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 -2.7004 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5242 -0.9553 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 0.7094 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 -0.0312 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6099 -1.7348 0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 0.5793 -1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4761 -1.0950 -2.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 -0.7478 -2.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 -2.8277 -1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8589 -2.3254 -1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0504 -2.3426 -0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5518 -0.1567 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 1.1849 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8017 -0.2282 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 1.2416 0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3610 3.5311 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 18 50 1 0 M END