Mrv1652309032201562D 20 23 0 0 0 0 999 V2000 3.6437 2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 1.9590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 1.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2013 0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9239 -0.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 -0.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9505 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4293 -0.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5585 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -0.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1784 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 1.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 1.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7997 1.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3832 1.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 0.2874 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 8 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 10 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 14 20 1 0 0 0 0 M END > NP0164947 > NP-MRD > COC1=CC(=O)OC11OC2(O)C(C)C3CC1(C)C2(C)O3 > InChI=1S/C14H18O6/c1-7-8-6-11(2)12(3,18-8)13(7,16)20-14(11)9(17-4)5-10(15)19-14/h5,7-8,16H,6H2,1-4H3 > NELMFCIXSYFKGN-UHFFFAOYSA-N > C14H18O6 > 282.292 > 282.1103383 > 5 > 38 > 27.511853195501935 > 1 > 1 > 0 > 1 > 6'-hydroxy-3-methoxy-3',7',9'-trimethyl-5H-5',8'-dioxaspiro[furan-2,4'-tricyclo[4.2.1.0^{3,7}]nonane]-5-one > 0.78 > 1.5745310403333324 > -1.80 > 0 > 4 > 0 > 10.663523056556002 > -4.022164166729702 > 74.22000000000001 > 66.9693 > 1 > 1 > 4.48e+00 g/l > 6'-hydroxy-3-methoxy-3',7',9'-trimethyl-5',8'-dioxaspiro[furan-2,4'-tricyclo[4.2.1.0^{3,7}]nonane]-5-one > 0 > NP0164947 > 6'-hydroxy-3-methoxy-3',7',9'-trimethyl-5',8'-dioxaspiro[furan-2,4'-tricyclo[4.2.1.0³,⁷]nonan]-5-one $$$$