Mrv1652309062201032D 14 15 0 0 0 0 999 V2000 -0.0404 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0937 1.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0937 -1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9007 -1.8785 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 2.0542 -1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 -1.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 -0.9224 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 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 4 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 2 14 1 0 0 0 0 M END > NP0221472 > NP-MRD > OCC1=CC(O)C2CC(=O)OC12CO > 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 > GXMPAYJMNREZKW-UHFFFAOYSA-N > C9H12O5 > 200.19 > 200.068473486 > 4 > 26 > 18.865949073877278 > 1 > 3 > 0 > 0 > 4-hydroxy-6,6a-bis(hydroxymethyl)-2H,3H,3aH,4H,6aH-cyclopenta[b]furan-2-one > -2.209116071 > 0 > 2 > 0 > 14.556067390873547 > 13.998018488546204 > -2.7715271011349714 > 86.99000000000001 > 46.5382 > 2 > 1 > 4-hydroxy-6,6a-bis(hydroxymethyl)-3H,3aH,4H-cyclopenta[b]furan-2-one > 0 > NP0221472 > 4-hydroxy-6,6a-bis(hydroxymethyl)-3h,3ah,4h-cyclopenta[b]furan-2-one $$$$