HMDB0033375 RDKit 3D Octyl gallate 42 42 0 0 0 0 0 0 0 0999 V2000 -6.9455 -0.0921 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1246 0.9079 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 0.8247 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0665 -0.5177 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -0.4270 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8789 -1.7209 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4337 -1.5864 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -0.4887 -0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5811 -0.4184 -0.2818 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 0.4924 -0.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 1.2777 -1.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8555 0.5384 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -0.3256 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 -0.3298 1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9648 -1.2444 2.0401 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4894 0.5758 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 0.6071 0.9297 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0391 1.4502 -0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9503 2.3673 -1.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7462 1.4360 -0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0153 0.2004 0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8814 -1.0976 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6504 -0.1131 1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3446 0.8197 -1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4740 1.9166 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5427 1.0101 0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1409 1.5748 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0637 -0.7474 -1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5515 -1.3522 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1807 0.3550 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5399 -0.1679 1.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8976 -1.9776 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3594 -2.5699 0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 -2.5325 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 -1.2267 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 -0.6077 -1.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 0.5116 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6267 -1.0510 1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8578 -1.3535 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 -0.0229 1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6615 3.0048 -1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 2.1004 -1.6874 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 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 2 0 20 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 13 38 1 0 15 39 1 0 17 40 1 0 19 41 1 0 20 42 1 0 M END