Mrv1533004251508012D 14 14 0 0 0 0 999 V2000 0.8889 2.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5893 1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -1.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0787 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 -0.0977 0.0000 O 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 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 11 10 1 4 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0196509 > NP-MRD > CC1OC(=O)CCC(O)CC=CC1O > InChI=1S/C10H16O4/c1-7-9(12)4-2-3-8(11)5-6-10(13)14-7/h2,4,7-9,11-12H,3,5-6H2,1H3 > YTPQADMIIIZGDS-UHFFFAOYSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.658708631119374 > 1 > 2 > 0 > 1 > 5,9-dihydroxy-10-methyl-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one > 0.09 > 0.12133332466666641 > -0.43 > 0 > 1 > 0 > 15.204213611943427 > 13.800394455514816 > -2.7175442873676188 > 66.76 > 51.725500000000004 > 0 > 1 > 7.49e+01 g/l > 5,9-dihydroxy-10-methyl-3,4,5,6,9,10-hexahydrooxecin-2-one > 0 > NP0196509 > 5,9-dihydroxy-10-methyl-3,4,5,6,9,10-hexahydrooxecin-2-one $$$$