5281810 -OEChem-09272320512D 55 58 0 1 0 0 0 0 0999 V2000 5.1350 -2.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6431 0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7336 5.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -4.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -4.2857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.2856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.2856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7490 1.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6511 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7452 2.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8772 3.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6093 3.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8734 4.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6054 4.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 4.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1892 1.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -0.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -1.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3415 2.9682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1474 2.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3353 4.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1412 4.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2694 6.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 16 2 1 1 0 0 0 2 18 1 0 0 0 0 12 3 1 1 0 0 0 3 41 1 0 0 0 0 13 4 1 6 0 0 0 4 42 1 0 0 0 0 14 5 1 6 0 0 0 5 43 1 0 0 0 0 6 17 1 0 0 0 0 6 44 1 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 19 1 0 0 0 0 8 28 1 0 0 0 0 9 23 1 0 0 0 0 9 47 1 0 0 0 0 10 24 2 0 0 0 0 11 33 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 1 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 M END > 5281810 > 1 > 721 > 11 > 6 > 5 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YIEAAAAAAACBQAAAGgAACAAADBSwmAMyDoAABgCIAqBSAAACCAAkIAAIiAEGiMgdNzaGNRqieWOl4BUPuYfK7PzOIQABCAAIQABCAAIQABCAAAAAAAAAAA== > 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one > 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one > 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-6-methoxy-5-oxidanyl-chromen-4-one > 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone > InChI=1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1 > CNOURESJATUGPN-UDEBZQQRSA-N > 0.8 > 462.11621151 > C22H22O11 > 462.4 > COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O > COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O > 175 > 462.11621151 > 0 > 33 > 5 > 0 > 0 > 0 > 0 > 1 > 10 > 1 5 255 > 15 17 5 18 19 8 18 20 8 19 23 8 16 2 5 20 21 8 21 22 8 22 23 8 22 24 8 24 25 8 25 26 8 27 29 8 27 30 8 29 31 8 12 3 5 30 32 8 31 33 8 32 33 8 13 4 6 14 5 6 7 21 8 7 26 8 $$$$