Mrv1652309092222432D 23 24 0 0 1 0 999 V2000 0.1483 -5.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1067 -4.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 -4.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4454 -3.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1904 -3.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7425 -2.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3194 -1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 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 -0.6674 1.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6820 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9195 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7445 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 -1.1089 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 2 4 2 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 7 9 2 0 0 0 0 10 9 1 1 0 0 0 10 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 15 14 1 1 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 15 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > NP0290164 > NP-MRD > CC(C)=CCC\C(C)=C\[C@H]1OC(=O)C[C@]11C[C@H](O)[C@H](O)CC1=O > InChI=1S/C18H26O5/c1-11(2)5-4-6-12(3)7-16-18(10-17(22)23-16)9-14(20)13(19)8-15(18)21/h5,7,13-14,16,19-20H,4,6,8-10H2,1-3H3/b12-7+/t13-,14+,16-,18+/m1/s1 > UPYNJRPEKOAWTJ-LDNVJGTESA-N > C18H26O5 > 322.401 > 322.178023937 > 4 > 49 > 34.885282158876905 > 1 > 2 > 0 > 1 > (1R,5R,8R,9S)-1-[(1E)-2,6-dimethylhepta-1,5-dien-1-yl]-8,9-dihydroxy-2-oxaspiro[4.5]decane-3,6-dione > 1.8702344736666667 > 0 > 2 > 0 > 14.889883298563891 > 13.557674747449543 > -3.1693656912814436 > 83.83000000000001 > 87.33979999999998 > 4 > 1 > (1R,5R,8R,9S)-1-[(1E)-2,6-dimethylhepta-1,5-dien-1-yl]-8,9-dihydroxy-2-oxaspiro[4.5]decane-3,6-dione > 0 > NP0290164 > (1r,5r,8r,9s)-1-[(1e)-2,6-dimethylhepta-1,5-dien-1-yl]-8,9-dihydroxy-2-oxaspiro[4.5]decane-3,6-dione $$$$