6443665 -OEChem-09272320522D 75 78 0 1 0 0 0 0 0999 V2000 9.2331 1.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 1.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 2.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 3.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2331 3.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 1.2705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 0.4045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 2.1365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2331 3.0026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2331 3.0026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7331 2.1365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.5955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -2.5955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.5955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.5955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 2.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6581 0.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 1.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5431 3.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8531 3.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0431 1.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.2855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6254 1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3157 1.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6131 1.2705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4231 2.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.6206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.6206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 4.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4231 4.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.9055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8531 3.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.9055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 0.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 2 29 1 0 0 0 0 3 18 1 0 0 0 0 3 56 1 0 0 0 0 19 4 1 6 0 0 0 4 57 1 0 0 0 0 20 5 1 1 0 0 0 5 60 1 0 0 0 0 21 6 1 6 0 0 0 6 61 1 0 0 0 0 24 7 1 6 0 0 0 7 62 1 0 0 0 0 27 8 1 1 0 0 0 8 63 1 0 0 0 0 28 9 1 6 0 0 0 9 64 1 0 0 0 0 10 26 2 0 0 0 0 11 30 2 0 0 0 0 12 31 1 0 0 0 0 12 65 1 0 0 0 0 13 33 1 0 0 0 0 13 66 1 0 0 0 0 14 34 1 0 0 0 0 14 67 1 0 0 0 0 15 35 1 0 0 0 0 15 69 1 0 0 0 0 16 43 1 0 0 0 0 16 75 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 6 0 0 0 18 26 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 33 1 1 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 6 0 0 0 24 27 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 31 2 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 34 1 1 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 32 35 2 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 37 70 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 71 1 0 0 0 0 40 42 2 0 0 0 0 40 72 1 0 0 0 0 41 43 2 0 0 0 0 41 73 1 0 0 0 0 42 43 1 0 0 0 0 42 74 1 0 0 0 0 M END > 6443665 > 1 > 1160 > 16 > 12 > 6 > AAADcfB4PgAAAAAAAAAAAAAAAAAAAAAAAAA0SIEAAAAAAAABAAAAGgAACAAADFSgmAIwBoAABgCIAqBSAAICAAAgIAAIiAFGCMgJNjaKMRKCcAAl4BELuQfK7PzOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]cyclohex-4-ene-1,3-dione > (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]cyclohex-4-ene-1,3-dione > (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione > (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione > (6E)-2,4-bis[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-6-[(E)-3-(4-hydroxyphenyl)-1-oxidanyl-prop-2-enylidene]-2,5-bis(oxidanyl)cyclohex-4-ene-1,3-dione > (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]cyclohex-4-ene-1,3-quinone > InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-38,41H,7-8H2/b6-3+,14-11+/t12-,13-,16-,17-,19+,20+,21-,22-,23+,26-,27?/m1/s1 > IAVUBSCVWHLRGE-UXEKTNMQSA-N > -3.5 > 612.16903493 > C27H32O16 > 612.5 > C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O > C1=CC(=CC=C1/C=C/C(=C\2/C(=C(C(=O)C(C2=O)([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)/O)O > 295 > 612.16903493 > 0 > 43 > 10 > 1 > 2 > 0 > 0 > 1 > 52 > 1 5 255 > 17 44 6 22 33 5 23 49 6 29 34 5 18 3 3 38 39 8 38 40 8 39 41 8 19 4 6 40 42 8 41 43 8 42 43 8 20 5 5 21 6 6 24 7 6 27 8 5 28 9 6 $$$$