HMDB0040622 RDKit 3D 3'-(2''-Galloylglucosyl)-phloroacetophenone 56 58 0 0 0 0 0 0 0 0999 V2000 -5.1066 -3.8148 -1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 -3.1747 -1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7736 -3.8667 -1.6802 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6082 -1.8696 -0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6843 -1.0734 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9164 -1.7019 -0.4175 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5236 0.2246 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2186 0.7373 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 2.0243 0.4716 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 0.0002 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 0.7232 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 1.9692 -0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2657 2.9381 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 4.2602 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 5.3556 0.3861 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1396 2.6678 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9424 3.4041 2.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 1.2103 1.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 0.8671 2.6315 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1376 0.2413 0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 0.0308 0.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 -0.7291 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5705 -1.2831 -1.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 -0.9859 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1523 -1.2387 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5023 -1.4975 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0674 -1.7443 2.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3026 -1.5187 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6944 -1.8105 0.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7686 -1.2659 -1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5615 -1.2832 -2.4624 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 -0.9973 -1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3384 -1.3116 -0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3149 -2.0754 -1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6794 -3.9419 -0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7659 -3.2001 -2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9337 -4.8429 -1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 -1.1992 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3314 0.8534 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8778 2.5375 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 0.2176 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 2.9563 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 4.2397 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 4.4194 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2754 5.7028 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 3.0858 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7181 4.3802 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 1.1932 2.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 0.4605 3.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3245 -0.7383 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5321 -1.2068 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4931 -1.7526 3.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 -2.1265 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 -1.1436 -3.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 -0.8007 -2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5822 -2.5058 -1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 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 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 2 0 10 33 2 0 33 34 1 0 33 4 1 0 20 11 1 0 32 24 1 0 1 35 1 0 1 36 1 0 1 37 1 0 6 38 1 0 7 39 1 0 9 40 1 0 11 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 16 46 1 0 17 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 25 51 1 0 27 52 1 0 29 53 1 0 31 54 1 0 32 55 1 0 34 56 1 0 M END