Mrv1652304282204122D 64 74 0 0 1 0 999 V2000 -1.6425 10.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 11.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 11.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0487 10.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6321 9.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 10.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 9.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 8.7962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3234 9.2041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2196 9.0776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4331 8.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 7.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 8.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 7.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 6.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 7.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 7.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 8.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 7.8682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7103 7.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9959 6.6307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9959 5.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 5.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 4.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 4.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 4.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 5.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 5.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 5.3932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1393 4.5682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4248 4.1557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4248 3.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 2.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 3.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 4.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 5.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 6.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 7.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2827 6.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2827 5.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 5.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9972 7.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 7.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 5.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 6.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 8.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 9.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 9.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 8.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 7.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 9.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 5.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 9.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1749 8.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4906 7.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 7.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8108 8.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4951 9.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6771 9.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6287 8.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7482 10.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2726 12.1827 0.0000 O 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 1 6 1 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 1 0 0 0 0 10 5 1 6 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 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 16 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 22 27 1 0 0 0 0 27 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 26 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 25 35 1 0 0 0 0 30 36 1 6 0 0 0 29 37 1 6 0 0 0 37 38 2 0 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 2 0 0 0 0 37 42 1 0 0 0 0 40 43 1 0 0 0 0 39 44 1 0 0 0 0 23 45 1 0 0 0 0 20 46 1 6 0 0 0 19 47 1 6 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 47 52 1 0 0 0 0 50 53 1 0 0 0 0 15 54 1 0 0 0 0 9 55 1 6 0 0 0 8 56 1 1 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 56 61 1 0 0 0 0 59 62 1 0 0 0 0 4 63 1 0 0 0 0 2 64 1 0 0 0 0 M END > NP0056420 > NP-MRD > O[C@@H]1[C@H]2CC(=O)OC3=CC(O)=C([C@@H]4[C@@H](O)[C@H](OC5=C4C(O)=CC4=C5[C@@H]5[C@@H](O)[C@@](OC6=C5C(O)=CC(O)=C6)(O4)C4=CC=C(O)C=C4)C4=CC=C(O)C=C4)C(O[C@@H]1C1=CC(O)=C(O)C=C1)=C23 > InChI=1S/C47H36O17/c48-20-6-1-17(2-7-20)42-41(58)38(35-27(54)15-29-33-23(14-32(56)60-29)40(57)43(62-44(33)35)18-3-10-24(51)25(52)11-18)36-28(55)16-31-37(45(36)61-42)39-34-26(53)12-22(50)13-30(34)63-47(64-31,46(39)59)19-4-8-21(49)9-5-19/h1-13,15-16,23,38-43,46,48-55,57-59H,14H2/t23-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1 > PGZNWCVHENRBJD-HVXQRMEGSA-N > C47H36O17 > 872.788 > 872.195249699 > 16 > 100 > 85.26513108627962 > 0 > 11 > 0 > 0 > (5S,6R,7R)-7-(3,4-dihydroxyphenyl)-6,11-dihydroxy-10-[(1R,5R,6R,7S,13S,21R)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaen-7-yl]-2,8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(12),9(13),10-trien-3-one > 4.41 > 5.141772475000001 > -3.91 > 0 > 11 > 0 > 8.920223662600058 > 8.524582936470264 > -5.217532972797714 > 285.75 > 219.98860000000002 > 4 > 0 > 1.08e-01 g/l > (5S,6R,7R)-7-(3,4-dihydroxyphenyl)-6,11-dihydroxy-10-[(1R,5R,6R,7S,13S,21R)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaen-7-yl]-2,8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(12),9(13),10-trien-3-one > 0 > NP0056420 > Arachnitannin 3 $$$$