Mrv1652309122212322D 21 22 0 0 0 0 999 V2000 -0.8302 -2.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8302 -3.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5447 -4.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 -3.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9736 -4.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6881 -3.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4025 -4.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 -3.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8315 -4.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 -4.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 -3.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 -4.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9045 -3.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -2.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9045 -2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7295 -2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -2.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 -2.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7295 -3.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -4.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -2.9306 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 2 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 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 13 19 1 0 0 0 0 19 20 2 0 0 0 0 14 21 1 0 0 0 0 11 21 1 0 0 0 0 M END > NP0327714 > NP-MRD > OCCCCCCC(=O)CC1CC2=C(CCC(O)C2=O)O1 > InChI=1S/C16H24O5/c17-8-4-2-1-3-5-11(18)9-12-10-13-15(21-12)7-6-14(19)16(13)20/h12,14,17,19H,1-10H2 > MPEOJJODDUIQBZ-UHFFFAOYSA-N > C16H24O5 > 296.363 > 296.162373873 > 5 > 45 > 33.17829916552809 > 1 > 2 > 0 > 1 > 5-hydroxy-2-(8-hydroxy-2-oxooctyl)-2,3,4,5,6,7-hexahydro-1-benzofuran-4-one > 0.9695629979999995 > 0 > 2 > 0 > 16.843942772674183 > 13.371239089353118 > -1.991607403805816 > 83.83 > 79.2208 > 8 > 1 > 5-hydroxy-2-(8-hydroxy-2-oxooctyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one > 0 > NP0327714 > 5-hydroxy-2-(8-hydroxy-2-oxooctyl)-3,5,6,7-tetrahydro-2h-1-benzofuran-4-one $$$$