Mrv1652304282209342D 28 30 0 0 1 0 999 V2000 2.3645 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 3.2704 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 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 2 0 0 0 0 9 11 1 0 0 0 0 4 11 1 0 0 0 0 3 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 2 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 13 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 12 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END > NP0063091 > NP-MRD > C\C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C > InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6+/t18-,19+/m1/s1 > XGPBRZDOJDLKOT-KNXUDURGSA-N > C21H22O7 > 386.4 > 386.136553048 > 4 > 50 > 39.4775682403039 > 1 > 0 > 0 > 1 > (13S,14R)-14-(acetyloxy)-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,5,7,9-tetraen-13-yl (2E)-2-methylbut-2-enoate > 3.76 > 3.467460104999999 > -4.50 > 0 > 3 > 0 > -4.900254805264957 > 88.13 > 100.52969999999999 > 5 > 1 > 1.22e-02 g/l > (13S,14R)-14-(acetyloxy)-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,5,7,9-tetraen-13-yl (2E)-2-methylbut-2-enoate > 0 > NP0063091 > (+)-trans-4'-Acetyl-3'-tigloylkhellactone $$$$