HMDB0094789 RDKit 3D 2,6-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 5.1872 1.0587 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 0.0523 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 0.2809 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 -0.6905 -0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6675 0.0686 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4706 -0.8598 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 -0.5513 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 -1.4811 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5647 -2.6280 -0.9699 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -1.2235 0.3768 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9152 -0.0143 1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9834 1.1945 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9318 1.0631 -0.9531 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1009 2.4353 0.8505 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7466 2.0492 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 1.2011 -1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 0.7041 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2618 -0.8609 -1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8481 1.1851 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0993 -1.5566 -0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 -0.9969 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 0.4493 -1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4638 0.9246 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -1.7427 -1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 0.3734 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 -3.5693 -0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8697 -0.1106 1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0975 0.0327 1.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 3.2128 0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 8 10 2 3 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 9 26 1 0 11 27 1 0 11 28 1 0 14 29 1 0 M END