Mrv1652309022223552D 60 66 0 0 1 0 999 V2000 -4.8832 -2.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0873 -2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5011 -1.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8776 -3.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 -3.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8721 -4.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0762 -4.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8665 -5.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -5.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7788 -6.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 -6.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 -6.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -8.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7717 -8.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 -9.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 -9.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -6.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0043 -7.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6411 -5.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -5.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0606 -5.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2627 -5.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 -4.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4663 -4.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1995 -3.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 -3.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 -4.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 -3.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6159 -2.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 -2.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8434 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -1.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6623 0.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 -2.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 -2.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -2.4727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 -3.1164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7273 -3.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 -2.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3746 -3.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1982 -3.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9219 -3.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2929 -4.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 -4.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4876 -5.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3112 -5.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 -6.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0983 -3.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6456 -4.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -3.8061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4527 -5.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -6.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2486 -5.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 -4.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2541 -4.5733 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 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 11 23 1 0 0 0 0 23 24 1 0 0 0 0 9 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 31 37 2 0 0 0 0 27 37 1 0 0 0 0 37 38 1 0 0 0 0 30 39 1 0 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 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 49 51 1 0 0 0 0 46 52 2 0 0 0 0 41 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 29 1 1 0 0 0 40 55 1 0 0 0 0 8 56 2 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 2 0 0 0 0 6 59 1 0 0 0 0 59 60 1 0 0 0 0 M END > NP0163330 > NP-MRD > CC(C)=CCC1=CC(C2=C(C(=O)C3=CC4=C(O[C@@H]5[C@H]4COC4=C(CC=C(C)C)C(O)=CC=C54)C(CC=C(C)C)=C3O)C3=CC(O)=C(O)C(CC=C(C)C)=C3O2)=C(O)C=C1O > InChI=1S/C50H52O10/c1-24(2)9-13-28-19-34(40(53)22-39(28)52)50-42(35-21-41(54)44(56)31(48(35)60-50)16-12-27(7)8)45(57)36-20-33-37-23-58-46-29(14-10-25(3)4)38(51)18-17-32(46)49(37)59-47(33)30(43(36)55)15-11-26(5)6/h9-12,17-22,37,49,51-56H,13-16,23H2,1-8H3/t37-,49-/m0/s1 > KYGKFGJZDFSTOO-HNKXTRRSSA-N > C50H52O10 > 812.956 > 812.356047874 > 9 > 112 > 90.30434814359853 > 0 > 6 > 0 > 0 > (1R,10R)-13-{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-carbonyl}-6,15-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 > 6.91 > 11.899038974666672 > -4.51 > 1 > 7 > -1 > 7.609536477146003 > 6.822795732674621 > -2.9830808483381657 > 170.05 > 237.9039 > 11 > 0 > 2.50e-02 g/l > (1R,10R)-13-{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-carbonyl}-6,15-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 > NP0163330 > (1r,10r)-13-{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-carbonyl}-6,15-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 $$$$