Mrv1652304292203012D 26 29 0 0 1 0 999 V2000 4.0050 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1282 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4834 0.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6066 1.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7153 -0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 -2.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -1.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1013 -0.5813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6449 0.1780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1914 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5758 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1422 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9106 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2393 0.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 0.5082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4827 1.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6131 -0.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0195 0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5411 -0.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6499 -1.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 -2.4277 0.0000 C 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 6 9 1 0 0 0 0 9 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 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 11 18 1 6 0 0 0 18 19 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 10 21 1 6 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > NP0079971 > NP-MRD > COC1=C(C(C)C)C(=O)C2=C(C[C@@]34CCCC(C)(C)[C@@H]3C[C@]2(C)O4)C1=O > InChI=1S/C22H30O4/c1-12(2)15-18(24)16-13(17(23)19(15)25-6)10-22-9-7-8-20(3,4)14(22)11-21(16,5)26-22/h12,14H,7-11H2,1-6H3/t14-,21-,22-/m0/s1 > LOKXHUZRSBFWGD-RWGOJESNSA-N > C22H30O4 > 358.478 > 358.214409446 > 4 > 56 > 40.25429624750272 > 1 > 0 > 0 > 1 > (1S,9S,11S)-5-methoxy-9,12,12-trimethyl-6-(propan-2-yl)-16-oxatetracyclo[7.6.1.0^{1,11}.0^{3,8}]hexadeca-3(8),5-diene-4,7-dione > 4.36 > 3.967234356 > -4.25 > 0 > 4 > 0 > -4.167180110961978 > 52.60000000000001 > 101.73849999999999 > 2 > 1 > 1.99e-02 g/l > (1S,9S,11S)-6-isopropyl-5-methoxy-9,12,12-trimethyl-16-oxatetracyclo[7.6.1.0^{1,11}.0^{3,8}]hexadeca-3(8),5-diene-4,7-dione > 0 > NP0079971 > (+)-Komaroviquinone $$$$