443652 -OEChem-05092418332D 60 63 0 1 0 0 0 0 0999 V2000 5.1350 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2143 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 4.2308 1.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 4.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 1.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8831 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 2.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 3.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4236 3.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5449 3.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 1.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4532 4.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 1.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5772 1.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 -3.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 -2.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 17 2 1 1 0 0 0 2 19 1 0 0 0 0 13 3 1 1 0 0 0 3 43 1 0 0 0 0 14 4 1 6 0 0 0 4 44 1 0 0 0 0 15 5 1 6 0 0 0 5 45 1 0 0 0 0 6 18 1 0 0 0 0 6 46 1 0 0 0 0 7 20 2 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 52 1 0 0 0 0 9 31 1 0 0 0 0 9 34 1 0 0 0 0 10 32 1 0 0 0 0 10 35 1 0 0 0 0 11 30 1 0 0 0 0 11 53 1 0 0 0 0 12 33 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 1 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 26 32 1 0 0 0 0 26 48 1 0 0 0 0 27 31 2 0 0 0 0 27 49 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 M CHG 1 7 1 M END > 443652 > 1 > 669 > 11 > 7 > 6 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aIEAAAAAAACR9AAAGgAACAAADBSwmAMyDsAABkCIAqBSAAICCAAkIAAAiAFGiMgdNzaGNR6ieWOl4BUPuYfK7PzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol > (2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol > (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol > (2S,3R,4S,5S,6R)-2-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol > (2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-1-benzopyrylium-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol > InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1 > PXUQTDZNOHRWLI-OXUVVOBNSA-O > 493.13460123 > C23H25O12+ > 493.4 > COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O > COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O > 180 > 493.13460123 > 1 > 35 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 18 5 19 20 8 19 21 8 17 2 5 21 22 8 22 24 8 22 25 8 23 26 8 23 27 8 24 28 8 25 29 8 26 32 8 27 31 8 28 30 8 29 30 8 13 3 5 31 33 8 32 33 8 14 4 6 15 5 6 7 20 8 7 24 8 $$$$