HMDB0094729 RDKit 3D 3-Hepteneoylglycine 28 27 0 0 0 0 0 0 0 0999 V2000 -3.4267 -1.0722 -1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2045 -1.4495 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1097 -0.4406 0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 0.9109 0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 1.6880 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1925 1.3279 1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 1.3718 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 2.5682 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1298 0.2912 0.4745 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3614 0.2031 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6758 -1.2283 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 -1.5589 -1.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.2353 0.0223 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6914 -1.8679 -1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 -0.8708 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2492 -0.1372 -1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3342 -1.3327 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3346 -2.4593 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -0.5019 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3765 -0.7906 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7674 1.3122 -0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9146 2.7036 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 2.1357 2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 0.3793 1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3561 2.6402 -0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 0.7167 -1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 0.7568 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 -3.0605 0.3924 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 2 3 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 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 10 26 1 0 10 27 1 0 13 28 1 0 M END