HMDB0029811 RDKit 3D Ethyl hexadecanoate 56 55 0 0 0 0 0 0 0 0999 V2000 -7.0406 1.9370 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2808 1.0838 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7899 1.3170 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 0.4145 1.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3725 -1.0261 1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9693 -1.5888 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5997 -1.5978 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8657 -0.3647 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 -0.7121 -0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3705 -1.5013 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6976 -1.7951 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -0.5502 -1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6647 0.3035 0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4605 -0.4532 1.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 -0.8925 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5632 0.3272 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1603 0.9994 1.1857 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6239 0.7509 -0.9973 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3432 1.9073 -1.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8081 1.7944 -0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1014 1.4932 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0845 2.0520 0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6077 2.9575 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 0.0202 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6750 1.2897 2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5078 2.3580 1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3899 1.0375 -0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 0.7062 2.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0933 0.6463 2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8948 -1.5776 2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4726 -1.3081 1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3165 -2.6955 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6727 -1.1551 -0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 -2.1915 0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -2.2017 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 0.2343 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7413 0.3696 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -1.3254 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0504 0.2364 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0702 -2.5191 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -1.0310 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4771 -2.3683 -1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2844 -2.4696 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 0.0494 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 -0.7932 -1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1916 1.2545 -0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 0.5540 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9073 -1.3411 1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5954 0.1993 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3688 -1.4450 1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6503 -1.5912 -0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 2.0588 -2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8866 2.8290 -0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9974 2.2113 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4319 2.3471 -1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1649 0.7554 -0.9434 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 2 0 16 18 1 0 18 19 1 0 19 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 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 20 56 1 0 M END