Mrv1652309022201152D 14 15 0 0 1 0 999 V2000 1.0396 -1.0396 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 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6820 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7445 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5105 -1.1089 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 6 5 1 6 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 1 0 0 0 M END > NP0144331 > NP-MRD > OC[C@@H]1CC[C@@]2(CCOC2=O)[C@H](O)C1 > InChI=1S/C10H16O4/c11-6-7-1-2-10(8(12)5-7)3-4-14-9(10)13/h7-8,11-12H,1-6H2/t7-,8-,10-/m1/s1 > ZLQFOZOXFCXESK-NQMVMOMDSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.605085468744736 > 1 > 2 > 0 > 1 > (5R,6R,8R)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]decan-1-one > -0.08 > -0.18398487900000002 > -0.35 > 0 > 2 > 0 > 15.511960610313594 > 14.399708248464453 > -2.594507796631741 > 66.76 > 49.3002 > 1 > 1 > 8.94e+01 g/l > (5R,6R,8R)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]decan-1-one > 0 > NP0144331 > (5r,6r,8r)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]decan-1-one $$$$