24835331 -OEChem-05042412022D 55 58 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 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2857 0.0000 O 0 0 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 5.9889 4.2836 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 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 2 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 3 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 6.0010 0.2143 0.0000 C 0 0 3 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 1.2143 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 8.5991 -0.2857 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 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 9.4651 0.2143 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 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 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 6.0010 -0.4057 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 7.4236 3.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0243 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 9.4651 0.8343 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 -2.4057 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 11.1972 0.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.4057 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 2 17 1 0 0 0 0 2 19 1 0 0 0 0 13 3 1 1 0 0 0 3 41 1 0 0 0 0 14 4 1 1 0 0 0 4 42 1 0 0 0 0 15 5 1 6 0 0 0 5 44 1 0 0 0 0 6 18 1 0 0 0 0 6 45 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 8 20 1 0 0 0 0 8 47 1 0 0 0 0 9 25 1 0 0 0 0 9 52 1 0 0 0 0 10 28 1 0 0 0 0 10 53 1 0 0 0 0 11 31 1 0 0 0 0 11 54 1 0 0 0 0 12 33 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 1 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 29 31 1 0 0 0 0 29 49 1 0 0 0 0 30 32 2 0 0 0 0 30 50 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 M END > 24835331 > 1 > 717 > 12 > 9 > 4 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YIEAAAAAAACBQAAAGgAACAAADBSwmAMwDoAABgCAAiBCAAACCAAgIAAIiAAGiIgdNyKGMRqieCGlwBUPuAfA4LwOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > 2-(3,4-dihydroxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4H-chromene-4,5,7-triol > 2-(3,4-dihydroxyphenyl)-3-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-1-benzopyran-4,5,7-triol > 2-(3,4-dihydroxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-chromene-4,5,7-triol > 2-(3,4-dihydroxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-chromene-4,5,7-triol > 2-[3,4-bis(oxidanyl)phenyl]-3-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4H-chromene-4,5,7-triol > 2-(3,4-dihydroxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4H-chromene-4,5,7-triol > InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15-18,21-30H,6H2/t13-,15+,16?,17+,18-,21?/m1/s1 > NQYPTLKGQJDGTI-FQNUJKDLSA-N > -1 > 466.11112613 > C21H22O12 > 466.4 > C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O > C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O)O)O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O > 210 > 466.11112613 > 0 > 33 > 4 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 18 5 17 2 3 22 23 8 22 25 8 23 26 8 24 29 8 24 30 8 25 27 8 26 28 8 27 28 8 29 31 8 13 3 5 30 32 8 31 33 8 32 33 8 14 4 5 15 5 6 20 8 3 $$$$