HMDB0002923 RDKit 3D Isomaltose 45 46 0 0 0 0 0 0 0 0999 V2000 -5.6259 1.2505 0.0246 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4278 1.9364 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 0.9620 -0.5392 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1171 1.6001 -0.7307 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 0.9969 -0.0243 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8143 -0.2446 -0.4143 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1648 -0.8294 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -0.8321 -0.5467 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3638 -1.6702 -1.3636 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6086 -1.9334 -0.8457 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4169 -2.6584 -1.7136 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3189 -0.7010 -0.3329 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2364 -0.6145 1.0435 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6703 0.5001 -0.9288 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7154 0.5653 -2.2972 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 0.5319 -0.4728 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2285 1.0566 0.8023 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 1.0212 1.4196 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4036 0.9008 2.2508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4233 -0.1881 1.5382 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0870 -0.2037 2.7566 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 -0.2183 0.3584 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1714 -1.3839 -0.4095 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 0.8084 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 2.6585 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2177 2.4654 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 0.5983 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 1.7640 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.6098 -2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 -1.9567 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6156 -1.2650 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -2.5867 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2362 -2.5169 -2.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 -0.7745 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1103 -0.2984 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1503 1.4158 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -0.1179 -2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 1.2435 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 0.3873 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0419 1.9616 1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4742 0.0542 2.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7408 -1.0834 1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 -0.2902 3.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3772 -0.2886 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9865 -1.4133 -1.0034 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 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 5 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 3 1 0 16 8 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 6 5 28 1 1 7 29 1 0 7 30 1 0 8 31 1 1 10 32 1 1 11 33 1 0 12 34 1 1 13 35 1 0 14 36 1 1 15 37 1 0 16 38 1 6 17 39 1 0 18 40 1 1 19 41 1 0 20 42 1 1 21 43 1 0 22 44 1 1 23 45 1 0 M END