HMDB0032705 RDKit 3D Isopropyl beta-D-glucoside 33 33 0 0 0 0 0 0 0 0999 V2000 3.1558 -0.8062 -1.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 -0.1144 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5329 0.1688 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 -0.8184 0.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2485 -0.1255 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1742 -0.0553 1.4056 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 0.2376 1.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8071 1.7170 1.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0831 2.4786 2.4091 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 -0.5212 0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7263 0.0237 0.8982 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -0.3515 -0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8908 -1.1087 -1.5074 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6617 -0.9308 -0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1419 -0.8996 -2.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 -1.9261 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2228 -0.4879 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -0.5193 -2.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 0.8929 -0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0919 0.0405 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 1.2214 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4073 -0.5079 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 0.8707 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 -0.0281 2.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6989 2.0910 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8797 1.8267 1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9748 3.3842 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4069 -1.5967 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0997 0.3230 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 0.7194 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3532 -1.5421 -2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6967 -1.9659 -0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 -1.6896 -2.1739 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 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 5 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END