HMDB0094806 RDKit 3D 7-octenoylglycine 31 30 0 0 0 0 0 0 0 0999 V2000 3.8985 0.8753 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9953 -0.1871 -0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 -0.0867 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4471 -1.0607 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 -0.8102 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 0.5745 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 0.9264 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6787 0.1083 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6702 -1.2428 -0.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 0.6186 0.1997 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0008 -0.0421 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0694 0.6489 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8162 1.6408 -1.0406 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3883 0.2092 -0.2807 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 1.8003 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 0.8627 -2.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3911 -1.0998 -1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4323 -0.4088 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 0.9398 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 -0.8293 2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 -2.0883 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5794 -0.9332 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 -1.6104 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 1.2918 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 0.6881 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7291 2.0050 -0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 0.9031 -1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9062 -1.8520 0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0174 -1.1119 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3245 0.0043 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5902 -0.7336 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 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 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 2 17 1 0 3 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 6 25 1 0 7 26 1 0 7 27 1 0 9 28 1 0 11 29 1 0 11 30 1 0 14 31 1 0 M END