Mrv1652304282204592D 14 15 0 0 1 0 999 V2000 0.7846 -1.0799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.3349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2549 -2.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2549 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0619 0.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4991 0.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 1 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 2 9 1 6 0 0 0 9 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 1 14 1 1 0 0 0 M END > NP0057579 > NP-MRD > OCC1=C[C@H](O)[C@@H]2CC(=O)O[C@]12CO > InChI=1S/C9H12O5/c10-3-5-1-7(12)6-2-8(13)14-9(5,6)4-11/h1,6-7,10-12H,2-4H2/t6-,7-,9+/m0/s1 > GXMPAYJMNREZKW-ACLDMZEESA-N > C9H12O5 > 200.19 > 200.068473486 > 4 > 26 > 18.917511645552096 > 1 > 3 > 0 > 0 > (3aS,4S,6aS)-4-hydroxy-6,6a-bis(hydroxymethyl)-2H,3H,3aH,4H,6aH-cyclopenta[b]furan-2-one > -1.41 > -2.209116071 > 0.08 > 0 > 2 > 0 > 14.556067390873547 > 13.998018488546204 > -2.7715271011349714 > 86.99000000000001 > 46.5382 > 2 > 1 > 2.38e+02 g/l > (3aS,4S,6aS)-4-hydroxy-6,6a-bis(hydroxymethyl)-3H,3aH,4H-cyclopenta[b]furan-2-one > 0 > NP0057579 > Rehmaglutin C $$$$