Mrv1533004231514532D 15 15 0 0 0 0 999 V2000 0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 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 -0.7145 -0.4125 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 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 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 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 M END > NP0283528 > NP-MRD > CC=CC(=O)OC1C(C)OCC(O)C1O > InChI=1S/C10H16O5/c1-3-4-8(12)15-10-6(2)14-5-7(11)9(10)13/h3-4,6-7,9-11,13H,5H2,1-2H3 > ZKDAKCXDTRJOGZ-UHFFFAOYSA-N > C10H16O5 > 216.233 > 216.099773615 > 4 > 31 > 21.63020384837367 > 1 > 2 > 0 > 1 > 4,5-dihydroxy-2-methyloxan-3-yl but-2-enoate > 0.09 > 0.29598143566666735 > -0.30 > 0 > 1 > 0 > 14.35800543739693 > 12.8703646197825 > -3.522951398007332 > 75.99000000000001 > 52.822500000000005 > 3 > 1 > 1.08e+02 g/l > 4,5-dihydroxy-2-methyloxan-3-yl but-2-enoate > 0 > NP0283528 > 4,5-dihydroxy-2-methyloxan-3-yl but-2-enoate $$$$