HMDB0036225 RDKit 3D Pentyl heptanoate 38 37 0 0 0 0 0 0 0 0999 V2000 6.2515 -0.8468 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4175 0.3563 -0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 -0.0674 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0456 1.0422 -0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6089 0.6054 -0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2893 0.2412 0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -0.1873 0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 -1.3202 0.5254 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0997 0.5844 1.5593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 0.1950 1.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1557 -0.0926 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5747 -0.5021 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3908 -0.8113 -0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5352 0.3249 -1.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4853 -1.5053 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1675 -0.4130 0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6947 -1.3653 0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6001 0.6009 -1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5848 1.2315 0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8305 -0.2686 0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7588 -0.9449 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2767 1.4405 -1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 1.9280 -0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 -0.1944 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 1.4869 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 -0.6589 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5923 1.0608 1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9534 1.0301 2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5452 -0.7154 2.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 -0.9607 -0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 0.7874 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5987 -1.3923 1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0833 0.3089 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0193 -1.7534 -0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4176 -1.0872 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5992 0.4178 -1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2589 1.2602 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9275 0.1846 -2.3416 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 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 M END