HMDB0039325 RDKit 3D Gallic acid 3-O-(6-galloylglucoside) 54 56 0 0 0 0 0 0 0 0999 V2000 6.7667 3.1270 -0.8274 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 2.6790 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7984 3.5077 0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3599 1.2763 -0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2438 0.4683 -1.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8878 -0.8418 -1.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8153 -1.6368 -2.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6953 -1.3511 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3668 -2.6753 -1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 -0.5528 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5712 -1.1250 -0.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 -0.4489 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3983 -0.4439 -0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 -1.7296 -0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 -1.7529 -1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2169 -1.0410 -1.2111 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 0.2794 -0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4366 1.0539 -1.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7154 0.8779 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8392 0.0884 -0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 0.6085 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2027 -0.2414 -0.2726 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2538 1.9581 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4863 2.5109 0.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1257 2.7698 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2981 4.1251 0.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8788 2.2276 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5541 -2.3345 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9424 -2.5382 0.8227 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 -1.4077 2.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8576 -0.1916 1.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 -1.1189 1.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 -0.2752 3.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1471 0.7442 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 4.3240 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2001 0.8661 -1.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6355 -2.6146 -2.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4935 -3.0826 -1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 0.5932 0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 -2.2944 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 -1.4326 -2.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -2.8393 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7371 -0.9826 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1482 0.0293 -0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3449 1.9953 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 4.5213 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0006 2.8533 -0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 -3.2889 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -3.4412 1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4175 -1.8546 2.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2161 0.1318 2.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -2.0493 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 0.5481 2.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 1.4221 0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 14 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 10 34 2 0 34 4 1 0 32 12 1 0 27 19 1 0 3 35 1 0 5 36 1 0 7 37 1 0 9 38 1 0 12 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 20 43 1 0 22 44 1 0 24 45 1 0 26 46 1 0 27 47 1 0 28 48 1 0 29 49 1 0 30 50 1 0 31 51 1 0 32 52 1 0 33 53 1 0 34 54 1 0 M END