Mrv1652309112211032D 56 62 0 0 1 0 999 V2000 -4.8403 -5.1539 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 -3.4582 -4.7907 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 -0.3894 -7.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 -8.5628 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 -1.4047 -8.7724 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 5.4562 -1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0852 -1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2616 -1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8089 -1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8906 -0.3103 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 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 1 2 1 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 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 9 21 1 0 0 0 0 21 22 1 0 0 0 0 7 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 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 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 29 35 2 0 0 0 0 25 35 1 0 0 0 0 35 36 1 0 0 0 0 28 37 1 0 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 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 41 47 2 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 2 0 0 0 0 39 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 27 1 1 0 0 0 38 53 1 0 0 0 0 6 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 3 56 1 0 0 0 0 M END > NP0312345 > NP-MRD > COC1=CC=C(C2=C(C(=O)C3=CC4=C(O[C@@H]5[C@H]4COC4=CC(O)=C(CC=C(C)C)C=C54)C(CC=C(C)C)=C3O)C3=CC(O)=C(O)C(CC=C(C)C)=C3O2)C(O)=C1 > InChI=1S/C46H46O10/c1-22(2)8-11-25-16-31-38(20-35(25)47)54-21-34-30-18-33(40(50)28(13-9-23(3)4)43(30)55-45(31)34)42(52)39-32-19-37(49)41(51)29(14-10-24(5)6)44(32)56-46(39)27-15-12-26(53-7)17-36(27)48/h8-10,12,15-20,34,45,47-51H,11,13-14,21H2,1-7H3/t34-,45-/m0/s1 > GFGQVFFYGKOFJS-LEEIDUJMSA-N > C46H46O10 > 758.864 > 758.309097681 > 9 > 102 > 83.79015783331849 > 0 > 5 > 0 > 0 > (1R,10R)-13-[5,6-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbonyl]-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 > 10.316366031333335 > 1 > 7 > -1 > 7.660899781720554 > 6.833457572820548 > -2.9766250286685887 > 159.04999999999998 > 218.14339999999999 > 10 > 0 > (1R,10R)-13-[5,6-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbonyl]-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 > NP0312345 > (1r,10r)-13-[5,6-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbonyl]-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 $$$$