5321320 -OEChem-04162401012D 55 58 0 1 0 0 0 0 0999 V2000 4.2690 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3648 1.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 4.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 1.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 2.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1191 3.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4931 1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -1.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5576 3.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6788 3.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 2.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 2.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 1.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5872 4.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -3.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -1.4757 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 6 0 0 0 3 42 1 0 0 0 0 13 4 1 1 0 0 0 4 43 1 0 0 0 0 14 5 1 6 0 0 0 5 44 1 0 0 0 0 6 19 1 0 0 0 0 6 22 1 0 0 0 0 7 20 2 0 0 0 0 8 24 1 0 0 0 0 8 33 1 0 0 0 0 9 29 1 0 0 0 0 9 53 1 0 0 0 0 10 30 1 0 0 0 0 10 54 1 0 0 0 0 11 32 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 6 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 17 41 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 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 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 2 0 0 0 0 25 45 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 27 31 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 M END > 5321320 > 1 > 757 > 11 > 6 > 4 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YIEAAAAAAACBQAAAGgAACAAADBSwmAMyDoAABgCIAqBSAAICCAAkIAAIiAFGiMgdNzaGNR6ieWGl4BUPuQfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one > 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one > 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one > 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one > 2-[3,4-bis(oxidanyl)phenyl]-5-methoxy-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-4-one > 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromone > InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-13(30-2)6-10(23)7-14(15)32-20(21)9-3-4-11(24)12(25)5-9/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1 > FYSMTINDJSASRR-UFGFRKJLSA-N > 0.6 > 462.11621151 > C22H22O11 > 462.4 > CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3)O)OC)C4=CC(=C(C=C4)O)O)O)O)O > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3)O)OC)C4=CC(=C(C=C4)O)O)O)O)O > 175 > 462.11621151 > 0 > 33 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 17 6 18 19 8 18 20 8 16 2 5 20 21 8 21 22 8 21 24 8 22 25 8 23 26 8 23 27 8 24 28 8 25 29 8 26 30 8 27 31 8 28 29 8 12 3 6 30 32 8 31 32 8 13 4 5 14 5 6 6 19 8 6 22 8 $$$$