HMDB0038594 RDKit 3D Calystegine B2 25 26 0 0 0 0 0 0 0 0999 V2000 -0.2502 2.5616 -0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5175 1.5283 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 1.0187 0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7616 0.5636 -0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5465 -0.9196 -0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -1.1543 0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 -2.4255 0.8796 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4532 -0.2028 1.4262 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8825 -0.8795 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8446 -1.8695 -0.2162 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4343 0.4899 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 0.4089 0.3001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3608 2.2893 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 2.0454 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 1.7933 1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8115 1.1431 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 0.6450 0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 -1.5443 -0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -1.0854 -1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 -2.4108 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 -0.4647 1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -1.0867 -1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7444 -1.6105 -0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7615 0.8532 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3681 0.3134 1.2392 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 6 8 1 0 6 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 2 1 0 8 3 1 0 1 13 1 0 2 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 M END