HMDB0033965 RDKit 3D (R)-Pantothenic acid 4'-O-b-D-glucoside 53 53 0 0 0 0 0 0 0 0999 V2000 0.5386 0.5673 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -0.8759 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3892 -1.6293 -1.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 -1.5410 -0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5051 -1.1445 0.2445 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 0.0124 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 -0.4168 0.0571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3053 0.7107 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6824 0.3706 -0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5748 -0.4768 -1.9166 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3735 1.6697 0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7000 1.7625 1.2489 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6078 1.0471 2.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3173 -0.0065 2.5852 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 0.6716 1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 1.8361 1.6806 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4659 -1.0067 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7751 -0.3380 1.4854 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 -0.4485 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0483 0.5654 1.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 -0.9322 -0.3518 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2201 -0.3500 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8773 -0.3274 0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2265 0.2855 0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3903 1.5459 0.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3937 -0.4796 0.8266 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 0.9781 -1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 1.1346 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2322 0.7485 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6135 -1.7917 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 -2.6173 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1252 -0.9472 -2.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 -1.5899 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -2.6765 -0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 0.7665 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7446 1.2173 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1957 1.3005 -1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3047 -0.0975 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3937 -1.4067 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 2.6789 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8099 2.0086 2.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5513 1.8439 2.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0829 0.2954 3.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.0315 2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7703 2.4092 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5202 -2.0697 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 0.5862 1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 -1.7782 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -0.8715 -1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1528 0.7029 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3228 0.1996 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0514 -1.3877 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 -0.6763 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 2 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 15 6 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 6 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 26 53 1 0 M END