HMDB0038407 RDKit 3D Glucocheirolin 47 47 0 0 0 0 0 0 0 0999 V2000 6.5569 1.3435 2.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 0.8222 1.9181 S 0 0 0 0 0 6 0 0 0 0 0 0 4.1562 0.5847 3.2077 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 -0.4788 1.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9983 2.0411 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 1.6981 0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3869 0.4166 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 0.2009 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5118 0.1148 -1.4512 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3945 0.2129 -2.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 -1.2485 -3.2340 S 0 0 0 0 0 6 0 0 0 0 0 0 3.2241 -1.6976 -2.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 -2.3236 -2.9952 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1187 -1.0132 -4.9007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1697 0.0785 1.1765 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 -0.1522 0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -1.3750 0.1558 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4419 -1.6908 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 -2.4004 1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2548 -2.6999 1.1181 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3327 -0.5905 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 -0.7740 0.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 0.8005 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4764 1.6744 -1.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3945 0.9092 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 0.5046 -1.4666 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 1.8299 1.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6299 1.9831 3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1460 0.4303 2.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1032 3.0204 1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4902 2.1574 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0719 1.6102 1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 2.5327 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7782 -0.4365 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8984 0.4596 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -1.8839 -5.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 -0.0668 1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4865 -2.4874 -0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7051 -1.7991 2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 -3.3841 1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8092 -2.5423 1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5562 -0.6431 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2254 -0.2189 -0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1909 1.1094 0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 1.7190 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 1.9179 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5774 -0.2652 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 8 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 14 36 1 0 16 37 1 0 18 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 M END