HMDB0033835 RDKit 3D Propyl gallate 27 27 0 0 0 0 0 0 0 0999 V2000 4.8765 0.7114 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 0.7750 -0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7096 0.0377 0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 0.0721 0.9266 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5482 -0.4160 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 -0.9484 -1.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9046 -0.3546 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 0.2098 0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9839 0.2861 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7201 0.8555 1.9811 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7188 -0.2333 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 -0.1626 -0.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -0.8105 -1.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6816 -1.3447 -2.2836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 -0.8632 -1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2883 1.4283 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2297 -0.3408 0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 0.9762 -1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0734 0.4034 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 1.8654 -0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1238 0.3795 1.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 -1.0375 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0869 0.6301 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 1.2329 2.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6213 -0.5328 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6667 -1.3762 -2.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1574 -1.3282 -2.0187 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 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 2 0 15 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 8 23 1 0 10 24 1 0 12 25 1 0 14 26 1 0 15 27 1 0 M END