5280805 -OEChem-05211318472D 73 77 0 1 0 0 0 0 0999 V2000 6.0010 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6155 0.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 3.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -4.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -4.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 3.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6199 3.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0688 1.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1488 -0.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9353 2.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 25 1 0 0 0 0 22 2 1 6 0 0 0 2 26 1 0 0 0 0 3 22 1 0 0 0 0 3 27 1 0 0 0 0 18 4 1 1 0 0 0 4 59 1 0 0 0 0 19 5 1 6 0 0 0 5 60 1 0 0 0 0 25 6 1 6 0 0 0 6 29 1 0 0 0 0 20 7 1 1 0 0 0 7 61 1 0 0 0 0 21 8 1 1 0 0 0 8 62 1 0 0 0 0 23 9 1 1 0 0 0 9 63 1 0 0 0 0 24 10 1 6 0 0 0 10 64 1 0 0 0 0 11 30 1 0 0 0 0 11 34 1 0 0 0 0 12 31 2 0 0 0 0 13 35 1 0 0 0 0 13 70 1 0 0 0 0 14 40 1 0 0 0 0 14 71 1 0 0 0 0 15 41 1 0 0 0 0 15 72 1 0 0 0 0 16 43 1 0 0 0 0 16 73 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 6 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 25 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 1 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 36 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 36 65 1 0 0 0 0 37 41 1 0 0 0 0 37 66 1 0 0 0 0 38 42 2 0 0 0 0 38 67 1 0 0 0 0 39 40 2 0 0 0 0 39 68 1 0 0 0 0 41 43 2 0 0 0 0 42 43 1 0 0 0 0 42 69 1 0 0 0 0 M END > 5280805 > 1 > 1020 > 16 > 10 > 6 > AAADceB4PgAAAAAAAAAAAAAAAAAAAAAAAAA0aIECAAAAAACBQAAAGgAACAAADBSwmAMyDoAABgCIAqBSAAICCAAkIAAIiAFGiMgdNzaGNR6ieWGl4BUPuQfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one > 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone > InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 > IKGXIBQEEMLURG-NVPNHPEKSA-N > -1.3 > 610.153385 > C27H30O16 > 610.5175 > CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O > 266 > 610.153385 > 0 > 43 > 10 > 0 > 0 > 0 > 0 > 1 > 162 > 1 5 255 > 24 10 6 11 30 8 11 34 8 17 26 6 22 2 6 27 28 5 29 30 8 29 31 8 31 32 8 32 34 8 32 35 8 33 37 8 33 38 8 34 36 8 35 39 8 36 40 8 37 41 8 38 42 8 39 40 8 18 4 5 41 43 8 42 43 8 19 5 6 25 6 6 20 7 5 21 8 5 23 9 5 $$$$