HMDB0034461 RDKit 3D Heptyl heptanoate 44 43 0 0 0 0 0 0 0 0999 V2000 5.3615 -1.7453 1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -0.4560 0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7073 0.1892 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 0.6463 -0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 -0.4396 -0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 0.0559 -1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 1.0880 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2259 1.6307 -0.4781 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9517 0.8925 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 -0.3344 -0.2507 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2184 1.5855 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4368 0.7390 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5636 0.1167 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8092 -0.7482 0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0645 0.0240 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2151 -0.9860 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1617 -2.3760 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5944 -1.6470 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0151 -2.3109 0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7166 0.3340 1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1197 -0.5601 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1111 -0.4377 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4241 1.0885 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 1.4541 -0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 1.0959 -1.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6519 -1.2744 -1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 -0.8258 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -0.8444 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 0.4031 -2.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 0.6708 0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 1.9653 -0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2385 2.1287 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 2.4160 0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3274 -0.0860 -1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 1.3439 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7165 -0.5303 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 0.8767 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7271 -1.5275 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8714 -1.1962 1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 0.8745 1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1143 0.4007 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1982 -0.4697 0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0455 -1.5557 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0894 -1.6692 -0.2333 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 M END