HMDB0013010 RDKit 3D N-Heptanoylglycine 30 29 0 0 0 0 0 0 0 0999 V2000 -2.6029 1.5641 -1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9571 0.0796 -1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.4049 0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7445 -0.1946 0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 -0.9604 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6268 -0.7011 1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6845 -1.4526 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 -2.8129 0.2699 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 -0.8409 -0.0799 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 0.5677 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3279 0.8404 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1104 -0.0700 -0.6563 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7121 2.1930 -0.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 1.7279 -1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0248 2.0718 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0448 1.9741 -0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9464 -0.0371 -1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 -0.5204 -1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -1.4676 0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 0.1603 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4688 0.8904 1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8188 -0.4798 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8077 -2.0385 0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5115 -0.6253 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4911 -1.0017 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 0.3933 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -3.2926 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 0.9966 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 1.0818 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 2.3592 -0.2663 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 7 9 2 3 9 10 1 0 10 11 1 0 11 12 2 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 8 27 1 0 10 28 1 0 10 29 1 0 13 30 1 0 M END