HMDB0034606 RDKit 3D Hexyl propionate 29 28 0 0 0 0 0 0 0 0999 V2000 4.5700 0.4004 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0627 0.0577 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6099 -0.6111 -0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2824 -1.1819 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 -0.3846 -0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 0.2127 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4745 0.9271 0.4472 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 0.2877 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -0.9445 0.0357 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8979 1.0929 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0508 0.1801 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0362 -0.5858 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9794 0.8975 1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6339 1.0641 -0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 1.0949 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0355 -0.4855 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 0.1605 -1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -1.3869 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 -2.1392 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 -1.6393 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8532 -0.9991 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 0.4630 -1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 -0.6301 1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5516 0.8791 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0329 1.6435 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8451 1.8471 -0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0623 -0.1816 -1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9915 0.6748 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9477 -0.7132 0.5448 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 2 0 8 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 M END