5281879 -OEChem-04262405542D 58 62 0 1 0 0 0 0 0999 V2000 10.4652 0.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4652 -1.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1973 -2.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7168 -2.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -0.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7953 -0.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7953 1.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0787 2.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3304 2.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 -0.1712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3312 -1.1712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1973 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5992 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5992 -1.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1973 -1.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7052 -1.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7052 0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7992 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0633 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1973 1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7992 -1.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9351 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9293 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0633 1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9293 1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9389 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2069 1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0748 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 1.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 -3.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6614 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8682 -0.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 -1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8078 -1.7789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4093 -1.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7124 0.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0633 -0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 1.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2634 -1.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0633 2.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7342 -2.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4771 1.6608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 -0.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5404 -2.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3233 -3.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 -3.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8724 1.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7953 2.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9714 -0.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1983 0.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3514 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7983 3.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 46 1 0 0 0 0 4 17 1 0 0 0 0 4 33 1 0 0 0 0 5 23 1 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 6 36 1 0 0 0 0 7 26 1 0 0 0 0 7 53 1 0 0 0 0 8 30 2 0 0 0 0 9 31 1 0 0 0 0 9 57 1 0 0 0 0 10 34 1 0 0 0 0 10 58 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 6 0 0 0 11 37 1 0 0 0 0 12 16 1 1 0 0 0 12 38 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 42 1 0 0 0 0 21 25 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 27 2 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 27 30 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 32 2 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 35 1 0 0 0 0 32 34 1 0 0 0 0 32 48 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 34 35 2 0 0 0 0 35 52 1 0 0 0 0 36 54 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 M END > 5281879 > 1 > 819 > 10 > 4 > 5 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMECAAAAAACRUAAAGgAACAAADBSgmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGiMgNNzaGNRqCeWOl4BULuQfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > 5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one > 5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]-1-benzopyran-4-one > 5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one > 5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]chromen-4-one > 2-[(2R,3R)-3-(hydroxymethyl)-5-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-5,7-bis(oxidanyl)chromen-4-one > 5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-3-methylol-2,3-dihydro-1,4-benzodioxin-7-yl]chromone > InChI=1S/C26H22O10/c1-32-19-5-12(3-4-15(19)29)25-23(11-27)36-26-21(33-2)6-13(7-22(26)35-25)18-10-17(31)24-16(30)8-14(28)9-20(24)34-18/h3-10,23,25,27-30H,11H2,1-2H3/t23-,25-/m1/s1 > NIOAGUZTTGFPGK-ILBGXUMGSA-N > 3.2 > 494.12129689 > C26H22O10 > 494.4 > COC1=CC(=CC2=C1OC(C(O2)C3=CC(=C(C=C3)O)OC)CO)C4=CC(=O)C5=C(C=C(C=C5O4)O)O > COC1=CC(=CC2=C1O[C@@H]([C@H](O2)C3=CC(=C(C=C3)O)OC)CO)C4=CC(=O)C5=C(C=C(C=C5O4)O)O > 144 > 494.12129689 > 0 > 36 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 13 6 12 16 5 13 20 8 13 21 8 14 15 8 14 18 8 15 17 8 17 22 8 18 19 8 19 22 8 20 24 8 21 25 8 23 27 8 24 26 8 25 26 8 27 30 8 28 29 8 28 32 8 29 30 8 29 31 8 31 35 8 32 34 8 34 35 8 5 23 8 5 28 8 $$$$