HMDB0040171 RDKit 3D Heptyl 2-methylpropanoate 35 34 0 0 0 0 0 0 0 0999 V2000 5.6301 0.8615 -0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1539 0.9898 -0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -0.3995 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0848 -0.1866 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3991 -1.4947 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0522 -1.2301 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6936 -0.6004 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -0.3485 0.1148 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8445 0.2379 -0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 0.5194 -1.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3113 0.5239 -0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0671 -0.7498 -0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5223 1.5672 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8317 0.6184 -1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.0498 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1829 1.7925 -0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 1.4693 -0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0515 1.6418 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7301 -1.0618 -0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 -0.7789 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 0.2213 -0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9105 0.5392 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 -2.0164 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4216 -2.1516 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 -0.4916 1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5893 -2.1299 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 0.4443 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5528 -1.2190 -1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6619 0.9657 -1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1632 -0.8682 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -1.5764 -0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0878 -0.6790 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6214 1.0842 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3517 2.2620 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5834 2.1941 0.3786 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 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 M END