HMDB0031480 RDKit 3D Heptyl acetate 29 28 0 0 0 0 0 0 0 0999 V2000 4.0384 0.0733 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1321 0.7728 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6782 0.3382 -0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 0.7084 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1684 0.3104 0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 -1.1489 0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -1.7070 0.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8194 -1.2582 0.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 -0.0743 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6899 0.2498 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0535 0.8374 1.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9624 0.5195 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7609 -1.0060 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 0.1114 -0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 0.4666 -2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2355 1.8710 -1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 0.8582 -1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 -0.7660 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9679 0.3453 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2818 1.8298 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7352 0.8927 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3867 0.6545 1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 -1.6731 1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 -1.4471 -0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8421 -1.7208 2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 -2.8274 0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9662 -0.5873 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5343 0.4573 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5106 1.1779 -1.0918 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 9 11 2 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 7 25 1 0 7 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 M END