70146916 -OEChem-05112413592D 80 85 0 1 0 0 0 0 0999 V2000 13.5473 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8153 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5473 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2794 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2794 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9493 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0354 6.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4431 7.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 4.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1905 11.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 7.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 7.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 7.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6813 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5473 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6813 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4134 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4134 2.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8153 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2794 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1795 4.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3793 4.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1674 5.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3033 6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3914 5.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3072 7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1751 7.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0392 7.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1790 8.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3149 9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0469 9.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 5.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3187 10.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0508 10.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 5.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 4.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 6.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1867 10.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 6.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 6.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 4.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 4.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 5.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 4.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 5.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 7.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 6.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 7.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6813 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0104 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6813 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4134 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9503 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2138 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4168 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8153 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0104 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2794 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4123 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7188 4.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8400 4.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8593 6.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5773 7.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7768 9.0712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5827 9.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7830 10.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5889 10.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 4.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 3.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3284 6.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 5.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 7.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5312 6.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 8.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7287 12.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 7.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3972 7.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 15 2 1 6 0 0 0 2 58 1 0 0 0 0 16 3 1 1 0 0 0 3 59 1 0 0 0 0 4 19 1 0 0 0 0 4 21 1 0 0 0 0 18 5 1 6 0 0 0 5 60 1 0 0 0 0 6 20 1 0 0 0 0 6 61 1 0 0 0 0 7 24 1 0 0 0 0 7 29 1 0 0 0 0 8 27 2 0 0 0 0 9 37 1 0 0 0 0 9 42 1 0 0 0 0 10 39 1 0 0 0 0 10 77 1 0 0 0 0 11 41 1 0 0 0 0 11 78 1 0 0 0 0 12 38 2 0 0 0 0 13 45 1 0 0 0 0 13 79 1 0 0 0 0 14 50 1 0 0 0 0 14 80 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 1 0 0 0 0 17 20 1 1 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 62 1 0 0 0 0 23 26 2 0 0 0 0 23 63 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 65 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 31 66 1 0 0 0 0 32 35 2 0 0 0 0 32 67 1 0 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 33 41 2 0 0 0 0 34 39 2 0 0 0 0 34 68 1 0 0 0 0 35 39 1 0 0 0 0 35 69 1 0 0 0 0 36 38 1 0 0 0 0 36 40 1 0 0 0 0 36 42 2 0 0 0 0 37 43 2 0 0 0 0 40 46 2 0 0 0 0 40 47 1 0 0 0 0 41 44 1 0 0 0 0 42 70 1 0 0 0 0 43 45 1 0 0 0 0 43 71 1 0 0 0 0 44 45 2 0 0 0 0 44 72 1 0 0 0 0 46 48 1 0 0 0 0 46 73 1 0 0 0 0 47 49 2 0 0 0 0 47 74 1 0 0 0 0 48 50 2 0 0 0 0 48 75 1 0 0 0 0 49 50 1 0 0 0 0 49 76 1 0 0 0 0 M END > 70146916 > 1 > 1050 > 14 > 8 > 5 > AAADceB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAACBVAAAGgAACAAADBSwmAMwDoAABgCIAqBSAAACCAAkIAAIiAEGCMgdNzaGNRqieWCl4BUPuYfI7PzOIAAACAAIAABAAAAQABAAAAAAAAAAAA== > 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;3-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one > 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one;3-(4-hydroxyphenyl)-7-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one > 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;3-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;3-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > 7-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)chromen-4-one;3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one > 5,7-dihydroxy-3-(4-hydroxyphenyl)chromone;3-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone > InChI=1S/C21H20O9.C15H10O5/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10;16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,9,16,18-23,25-27H,8H2;1-7,16-18H/t16-,18-,19+,20-,21?;/m1./s1 > YCTZLLKNUKGDDT-IVSDOGBSSA-N > 686.16355563 > C36H30O14 > 686.6 > C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O.C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O > C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O.C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O > 233 > 686.16355563 > 0 > 50 > 4 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 17 20 5 15 2 6 21 22 8 21 23 8 22 24 8 23 26 8 24 25 8 25 26 8 25 27 8 27 28 8 28 29 8 16 3 5 30 31 8 30 32 8 31 34 8 32 35 8 33 37 8 33 38 8 33 41 8 34 39 8 35 39 8 36 38 8 36 42 8 37 43 8 19 4 3 40 46 8 40 47 8 41 44 8 43 45 8 44 45 8 46 48 8 47 49 8 48 50 8 49 50 8 18 5 6 7 24 8 7 29 8 9 37 8 9 42 8 $$$$