Mrv1652309022210522D 14 14 0 0 1 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 2 0 0 0 0 0 0 0 0 0 2.2391 1.6598 0.0000 C 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 2.5091 0.2566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0492 -0.3671 0.0000 O 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 0.6188 -0.8348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3488 -1.6143 0.0000 O 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 -0.1913 1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 0.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 1 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 1 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 2 14 1 0 0 0 0 M END > NP0152411 > NP-MRD > C[C@@H]1CC[C@@H](O)\C=C\[C@@H](O)CC(=O)O1 > InChI=1S/C10H16O4/c1-7-2-3-8(11)4-5-9(12)6-10(13)14-7/h4-5,7-9,11-12H,2-3,6H2,1H3/b5-4+/t7-,8-,9-/m1/s1 > XHUGXCVNAGWNCV-VARVQHAUSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.645114006620286 > 1 > 2 > 0 > 1 > (4S,7R,10R)-4,7-dihydroxy-10-methyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one > 0.21 > 0.12133332466666641 > -0.47 > 0 > 1 > 0 > 15.09220346949234 > 14.437070675545616 > -2.8488697641042897 > 66.76 > 51.725500000000004 > 0 > 1 > 6.74e+01 g/l > (4S,7R,10R)-4,7-dihydroxy-10-methyl-3,4,7,8,9,10-hexahydrooxecin-2-one > 0 > NP0152411 > (4s,5e,7r,10r)-4,7-dihydroxy-10-methyl-3,4,7,8,9,10-hexahydrooxecin-2-one $$$$