5396 -OEChem-05102416292D 78 85 0 1 0 0 0 0 0999 V2000 4.3358 5.0989 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 0.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2529 2.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 -1.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 2.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 -4.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 -5.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -1.5550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -1.5550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -2.5550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -2.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -0.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6041 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -3.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 1.9450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 1.4450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 1.4450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2250 -3.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 -4.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -4.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 1.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1191 -4.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 3.5143 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 -3.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 -5.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1471 4.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9539 5.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 6.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6412 6.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4999 -0.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4338 -1.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2111 0.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5938 -0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8035 2.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6695 1.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -2.7457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5576 -4.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2496 1.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 2.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6123 3.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -5.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -6.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5442 4.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0037 6.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2748 6.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -3.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -3.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 -2.5181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 -5.5181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 -6.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 1 44 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 4 28 1 0 0 0 0 5 26 1 0 0 0 0 5 36 1 0 0 0 0 6 22 2 0 0 0 0 7 25 1 0 0 0 0 7 65 1 0 0 0 0 8 32 1 0 0 0 0 8 36 1 0 0 0 0 9 27 1 0 0 0 0 9 66 1 0 0 0 0 10 31 1 0 0 0 0 10 39 1 0 0 0 0 11 33 1 0 0 0 0 11 39 1 0 0 0 0 12 37 1 0 0 0 0 12 45 1 0 0 0 0 13 38 1 0 0 0 0 13 46 1 0 0 0 0 14 40 1 0 0 0 0 14 70 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 29 2 0 0 0 0 20 30 2 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 24 34 2 0 0 0 0 24 35 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 28 32 1 0 0 0 0 28 57 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 59 1 0 0 0 0 31 33 2 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 34 38 1 0 0 0 0 34 62 1 0 0 0 0 35 37 2 0 0 0 0 35 63 1 0 0 0 0 36 41 1 0 0 0 0 36 64 1 0 0 0 0 37 40 1 0 0 0 0 38 40 2 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 42 69 1 0 0 0 0 43 44 2 0 0 0 0 43 71 1 0 0 0 0 44 72 1 0 0 0 0 45 73 1 0 0 0 0 45 74 1 0 0 0 0 45 75 1 0 0 0 0 46 76 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 M END > 5396 > 1 > 1090 > 14 > 3 > 6 > AAADcfB8PABAAAAAAAAAAAAAAAAAASJEgAA0aMECAAAAAEjR0AAAGgQACAAADRS02AOyD4AABgiMAiDSCAADCIAgKBBIiBkGiIgdNzKmMRqicCMlwBUvuAfK6PyOoAABCAAQQADAAAYQADCAAAAAAAAAAA== > 5-[[7,8-dihydroxy-2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one > 5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one > 5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one > 5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one > 5-[[7,8-bis(oxidanyl)-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one > 5-[[7,8-dihydroxy-2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one > InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3 > NRUKOCRGYNPUPR-UHFFFAOYSA-N > 1.2 > 656.15636224 > C32H32O13S > 656.7 > COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O > COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O > 189 > 656.15636224 > 0 > 46 > 0 > 10 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 41 8 1 44 8 15 21 3 16 22 3 18 24 3 19 20 8 19 29 8 17 2 3 23 2 3 20 30 8 24 34 8 24 35 8 28 32 3 29 31 8 30 33 8 31 33 8 34 38 8 35 37 8 36 41 3 37 40 8 38 40 8 41 42 8 42 43 8 43 44 8 26 5 3 25 7 3 27 9 3 $$$$