Mrv1652309092221582D 14 13 0 0 1 0 999 V2000 2.9980 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4270 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 2.1434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1414 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8559 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 2.1434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5704 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2849 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0289669 > NP-MRD > OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O > InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2/t3-,4+,5-,6-,7+/m1/s1 > YPZMPEPLWKRVLD-BIVRFLNRSA-N > C7H14O7 > 210.182 > 210.073952791 > 7 > 28 > 18.70124780941255 > 1 > 6 > 0 > 0 > (2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptanal > -4.198695505 > 0 > 0 > 0 > 12.872874960059786 > 12.193377535156834 > -2.9742118561862485 > 138.45000000000002 > 43.308099999999996 > 6 > 0 > (2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptanal > 0 > NP0289669 > (2s,3s,4r,5r,6s)-2,3,4,5,6,7-hexahydroxyheptanal $$$$