Mrv0541 05061308042D 68 78 0 0 0 0 999 V2000 1.5781 -4.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 -4.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 -5.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0615 -3.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 -2.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 -8.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0426 -9.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9681 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4305 -4.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 -3.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 -8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7172 -9.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5559 1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5532 2.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -6.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -7.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1932 -3.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4502 -3.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5277 -6.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0528 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0481 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6508 -5.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0402 -1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6556 -7.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4074 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 -4.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5161 -2.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1164 -8.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -6.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -4.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 -9.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3484 2.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 -5.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0025 -6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8447 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0893 -6.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 -2.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7984 -1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1537 -2.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 -5.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 -1.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 -7.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 -0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3591 -7.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3223 -2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6519 -1.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5707 -7.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7079 -0.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -8.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6229 -4.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1404 -10.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9362 2.9048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0695 -5.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -6.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 0.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 -1.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3211 -2.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 -5.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 -2.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -8.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7712 0.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 6 1 0 0 0 0 13 7 2 0 0 0 0 14 8 1 0 0 0 0 15 9 2 0 0 0 0 17 16 2 0 0 0 0 18 2 2 0 0 0 0 27 1 1 0 0 0 0 27 2 1 0 0 0 0 27 19 2 0 0 0 0 28 4 2 0 0 0 0 28 5 1 0 0 0 0 29 6 2 0 0 0 0 29 7 1 0 0 0 0 30 8 2 0 0 0 0 30 9 1 0 0 0 0 31 3 1 0 0 0 0 31 20 2 0 0 0 0 32 10 2 0 0 0 0 32 11 1 0 0 0 0 33 12 2 0 0 0 0 33 13 1 0 0 0 0 34 14 2 0 0 0 0 34 15 1 0 0 0 0 35 16 1 0 0 0 0 35 23 2 0 0 0 0 36 20 1 0 0 0 0 36 25 2 0 0 0 0 37 21 2 0 0 0 0 37 24 1 0 0 0 0 38 22 2 0 0 0 0 38 26 1 0 0 0 0 39 17 1 0 0 0 0 40 19 1 0 0 0 0 41 22 1 0 0 0 0 42 21 1 0 0 0 0 43 18 1 0 0 0 0 43 40 2 0 0 0 0 44 23 1 0 0 0 0 44 39 2 0 0 0 0 45 24 2 0 0 0 0 46 25 1 0 0 0 0 47 26 2 0 0 0 0 48 31 1 0 0 0 0 48 46 2 0 0 0 0 49 28 1 0 0 0 0 50 40 1 0 0 0 0 50 41 1 0 0 0 0 50 49 1 0 0 0 0 51 42 2 0 0 0 0 51 45 1 0 0 0 0 51 49 1 0 0 0 0 52 41 2 0 0 0 0 52 47 1 0 0 0 0 53 39 1 0 0 0 0 53 48 1 0 0 0 0 54 42 1 0 0 0 0 54 52 1 0 0 0 0 55 29 1 0 0 0 0 55 53 2 0 0 0 0 56 30 1 0 0 0 0 56 54 1 0 0 0 0 57 32 1 0 0 0 0 58 33 1 0 0 0 0 59 34 1 0 0 0 0 60 35 1 0 0 0 0 61 36 1 0 0 0 0 62 37 1 0 0 0 0 63 38 1 0 0 0 0 64 43 1 0 0 0 0 65 44 1 0 0 0 0 66 45 1 0 0 0 0 67 46 1 0 0 0 0 67 55 1 0 0 0 0 68 47 1 0 0 0 0 68 56 1 0 0 0 0 M END > CHEM028795 > chemdb > OC1=CC=C(C=C1)C1OC2=CC(O)=CC3=C2C1C1=C(C(C3C2=C(O)C=CC(\C=C\C3=CC(O)=CC4=C3C(=C(O4)C3=CC=C(O)C=C3)C3=C(O)C=C(O)C=C3)=C2)C2=CC=C(O)C=C2)C(O)=CC(O)=C1 > InChI=1S/C56H40O12/c57-32-10-4-28(5-11-32)49-50(41-22-38(63)26-47-52(41)54(42-21-37(62)24-45(66)51(42)49)56(68-47)30-8-14-34(59)15-9-30)40-19-27(2-18-43(40)64)1-3-31-20-36(61)25-46-48(31)53(39-17-16-35(60)23-44(39)65)55(67-46)29-6-12-33(58)13-7-29/h1-26,49-50,54,56-66H/b3-1+ > NOZYZQHNBQSLNF-HNQUOIGGSA-N > C56H40O12 > 904.9096 > 904.251976744 > 11 > 94.18132309712513 > 0 > 10 > 0 > 0 > 9-{5-[(E)-2-[3-(2,4-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl}-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol > 6.61 > 11.221006123999999 > -4.63 > 1 > 11 > 0 > 8.668949894499582 > 8.193409758074742 > -5.456330881903168 > 224.67 > 256.5024000000002 > 6 > 0 > 2.12e-02 g/l > 9-{5-[(E)-2-[3-(2,4-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl}-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol > 0 > Vitisifuran A $$$$