Mrv1533004171520102D 25 28 0 0 0 0 999 V2000 -3.8837 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -2.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -0.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6218 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 2.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 13 24 2 0 0 0 0 2 25 1 0 0 0 0 M END > NP0330428 > NP-MRD > CC(C)=CCC1=CC(C2=CC3=CC4=C(OCO4)C=C3O2)=C(O)C=C1O > InChI=1S/C20H18O5/c1-11(2)3-4-12-5-14(16(22)8-15(12)21)18-6-13-7-19-20(24-10-23-19)9-17(13)25-18/h3,5-9,21-22H,4,10H2,1-2H3 > SOYHFIGRYCLZKD-UHFFFAOYSA-N > C20H18O5 > 338.359 > 338.11542368 > 4 > 43 > 37.25417205642137 > 1 > 2 > 0 > 1 > 4-(3-methylbut-2-en-1-yl)-6-{4,6,10-trioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8,11-tetraen-11-yl}benzene-1,3-diol > 3.82 > 4.444265525999999 > -3.63 > 0 > 4 > 0 > 9.696854071920086 > 8.330463668824052 > -2.868663739945643 > 72.06 > 93.8843 > 3 > 1 > 7.94e-02 g/l > 4-(3-methylbut-2-en-1-yl)-6-{4,6,10-trioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8,11-tetraen-11-yl}benzene-1,3-diol > 0 > NP0330428 > 4-(3-methylbut-2-en-1-yl)-6-{4,6,10-trioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8,11-tetraen-11-yl}benzene-1,3-diol $$$$