Mrv1652309092202462D 51 59 0 0 1 0 999 V2000 2.2469 -4.6444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -3.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -3.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9703 -2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 -2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 -1.4834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5185 -1.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1561 -1.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0821 -2.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7567 -2.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6828 -3.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5053 -2.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 -1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 -1.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9046 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0739 0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 -0.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1097 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5028 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3192 -0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8336 -0.7937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6586 -0.7937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0166 -1.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 -1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1972 -2.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7325 -3.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 -3.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9098 -2.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 -2.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9613 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1449 -1.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9873 1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9894 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2461 1.0136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0639 1.8669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6203 2.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3709 3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 3.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2893 4.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2448 1.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -2.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5759 -3.2538 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 2 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 8 15 1 0 0 0 0 7 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 16 22 1 0 0 0 0 23 22 1 6 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 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 28 30 1 0 0 0 0 30 31 2 0 0 0 0 25 31 1 0 0 0 0 24 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 32 39 1 0 0 0 0 39 40 1 0 0 0 0 40 21 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 1 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 2 0 0 0 0 42 48 1 0 0 0 0 41 49 1 0 0 0 0 20 49 1 0 0 0 0 5 50 1 0 0 0 0 50 51 2 0 0 0 0 2 51 1 0 0 0 0 M END > NP0276568 > NP-MRD > OC1=CC=C(C=C1)[C@@H]1OC2=CC(O)=C3[C@@H]([C@H]([C@H]4[C@H](C5=CC=C(O)C=C5)C5=C(O)C=C(O)C=C5[C@H]1C2=C34)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1 > InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37+,40+,42+/m1/s1 > MBGBQHRAJPLAPN-LSEUQHLASA-N > C42H32O9 > 680.709 > 680.20463261 > 9 > 83 > 71.03387045012128 > 0 > 8 > 0 > 0 > (1S,2S,3S,9R,10S,17R)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.0^{4,18}.0^{7,19}.0^{11,16}]nonadeca-4,6,11,13,15,18-hexaene-5,13,15-triol > 7.8722581356666685 > 0 > 9 > 0 > 9.197374734027589 > 8.784372239915914 > -5.453814627640374 > 171.07 > 190.52599999999993 > 4 > 0 > (1S,2S,3S,9R,10S,17R)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.0^{4,18}.0^{7,19}.0^{11,16}]nonadeca-4,6,11,13,15,18-hexaene-5,13,15-triol > 0 > NP0276568 > (1s,2s,3s,9r,10s,17r)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.0⁴,¹⁸.0⁷,¹⁹.0¹¹,¹⁶]nonadeca-4,6,11,13,15,18-hexaene-5,13,15-triol $$$$