5492231 -OEChem-04262401242D 74 78 0 1 0 0 0 0 0999 V2000 6.8671 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.7500 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 3.2500 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 4.2526 0.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4709 3.2742 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 2.7500 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 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -4.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -4.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 1 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 3.4030 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -2.7500 0.0000 C 0 0 0 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 6.8671 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2411 1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2411 3.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -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 6.0010 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2482 3.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 1.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7193 -0.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4733 3.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.3700 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 1 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 6 0 0 0 4 59 1 0 0 0 0 19 5 1 1 0 0 0 5 60 1 0 0 0 0 25 6 1 1 0 0 0 6 29 1 0 0 0 0 20 7 1 6 0 0 0 7 61 1 0 0 0 0 21 8 1 6 0 0 0 8 62 1 0 0 0 0 23 9 1 6 0 0 0 9 63 1 0 0 0 0 24 10 1 1 0 0 0 10 64 1 0 0 0 0 11 30 2 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 70 1 0 0 0 0 13 40 1 0 0 0 0 13 71 1 0 0 0 0 14 41 1 0 0 0 0 14 72 1 0 0 0 0 15 42 1 0 0 0 0 15 73 1 0 0 0 0 16 43 1 0 0 0 0 16 74 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 1 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 6 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 1 0 0 0 0 29 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 65 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 66 1 0 0 0 0 37 42 1 0 0 0 0 37 67 1 0 0 0 0 38 41 2 0 0 0 0 38 68 1 0 0 0 0 39 40 2 0 0 0 0 39 69 1 0 0 0 0 41 43 1 0 0 0 0 42 43 2 0 0 0 0 M CHG 1 11 1 M END > 5492231 > 1 > 902 > 15 > 11 > 6 > AAADceB4PgAAAAAAAAAAAAAAAAAAAAAAAAA0aJECAAAAAACR9AAAGgAACAAADBSwmAMyDsAABkCIAqBSAAICCAAkIAAAiAFGiMgdNzaGNR6ieWOl4BUPuYfK7PzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol > (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-methyloxane-3,4,5-triol > (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol > (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol > (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-methyl-oxane-3,4,5-triol > (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol > InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1 > PLKUTZNSKRWCCA-LTSKFBHWSA-O > 611.16120990 > C27H31O16+ > 611.5 > CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)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=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O)O)O > 260 > 611.16120990 > 1 > 43 > 10 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 24 10 5 11 30 8 11 34 8 17 26 5 22 2 5 27 28 6 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 42 8 38 41 8 39 40 8 18 4 6 41 43 8 42 43 8 19 5 5 25 6 5 20 7 6 21 8 6 23 9 6 $$$$