Mrv1652309022211132D 60 66 0 0 1 0 999 V2000 2.1314 -2.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9383 -2.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4904 -2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2973 -2.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5944 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7874 -0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5325 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7255 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0226 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6636 0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4284 -1.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9293 -1.0946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7363 -0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9912 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7982 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0531 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8601 0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 1.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5630 2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9220 1.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3502 -0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1572 -0.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0953 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2883 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0334 -2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2264 -2.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6744 -1.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1933 -3.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -4.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8833 -4.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -3.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -3.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -4.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -4.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -5.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -5.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8833 -5.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1933 -5.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 -4.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 -5.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 -6.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 -6.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 -7.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1213 -7.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 -7.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 -4.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1213 -5.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 -3.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1213 -3.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 -3.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 -3.9734 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 7 13 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 6 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 2 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 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 19 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 5 1 1 0 0 0 16 31 1 0 0 0 0 2 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 36 42 2 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 34 45 1 0 0 0 0 45 46 1 0 0 0 0 33 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 49 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 59 60 2 0 0 0 0 32 60 1 0 0 0 0 48 60 1 0 0 0 0 M END > NP0152688 > NP-MRD > CC(C)=CCC1=C(O)C=C2OC[C@@H]3[C@@H](OC4=C3C=C(C(=C)C3=C(OC5=C(CC=C(C)C)C(O)=C(O)C=C35)C3=CC(CC=C(C)C)=C(O)C=C3O)C(O)=C4CC=C(C)C)C2=C1 > InChI=1S/C51H54O9/c1-25(2)10-14-30-18-36(42(54)22-40(30)52)51-45(38-21-43(55)47(57)33(49(38)60-51)17-13-28(7)8)29(9)34-20-35-39-24-58-44-23-41(53)31(15-11-26(3)4)19-37(44)50(39)59-48(35)32(46(34)56)16-12-27(5)6/h10-13,18-23,39,50,52-57H,9,14-17,24H2,1-8H3/t39-,50-/m0/s1 > IFTKTULJHYNZFN-JNDMVHLXSA-N > C51H54O9 > 810.984 > 810.376783319 > 8 > 114 > 92.65035241131068 > 0 > 6 > 0 > 0 > (1R,10R)-13-(1-{2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-yl}ethenyl)-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol > 7.36 > 11.959586583000004 > -4.77 > 1 > 7 > 0 > 8.37755156197489 > 7.865636885095264 > -2.8443828292502764 > 152.98 > 250.5674000000001 > 11 > 0 > 1.37e-02 g/l > (1R,10R)-13-(1-{2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-yl}ethenyl)-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol > 0 > NP0152688 > (1r,10r)-13-(1-{2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-yl}ethenyl)-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol $$$$