70673575 -OEChem-03182422432D 53 53 0 1 0 0 0 0 0999 V2000 9.3138 6.8504 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6798 6.4844 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 8.9478 3.8116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3655 3.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6877 5.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4478 6.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1789 1.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2078 5.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1798 7.3504 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8138 5.9844 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.8138 7.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9478 3.8116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3600 3.0025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6388 4.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4478 5.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2568 4.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3337 3.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1078 3.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1974 1.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2807 2.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5588 5.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4311 0.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 3 15 1 0 0 0 0 3 20 1 0 0 0 0 16 4 1 6 0 0 0 4 39 1 0 0 0 0 5 17 1 0 0 0 0 5 40 1 0 0 0 0 6 19 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 20 2 0 0 0 0 12 27 1 0 0 0 0 12 51 1 0 0 0 0 13 28 1 0 0 0 0 13 52 1 0 0 0 0 14 34 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 1 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 21 23 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 28 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 31 1 0 0 0 0 28 31 2 0 0 0 0 29 32 1 0 0 0 0 29 46 1 0 0 0 0 30 33 2 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 32 34 2 0 0 0 0 32 49 1 0 0 0 0 33 34 1 0 0 0 0 33 50 1 0 0 0 0 M CHG 3 2 2 9 -1 10 -1 M END > 70673575 > 1 > 603 > 12 > 6 > 5 > AAADceB4PAIAACAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAAABQAAAGgAACCAADBSgmAIwDoAABxCIQiDSCIICAAAgIAAIiABGCMgJNyKCMRKCcAAlwBULuQfA4BQOIAABCAAAAABAAAIQAAAAAAAAAAAAAA== > magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol > magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol > magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol > magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol > magnesium;[(2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-3-oxidanyl-5-oxidanylidene-2H-furan-4-yl] phosphate;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol > magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-keto-2H-furan-4-yl] phosphate;5-[(E)-2-(4-hydroxyphenyl)vinyl]resorcinol > InChI=1S/C14H12O3.C6H9O9P.Mg/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h1-9,15-17H;2,4,7-9H,1H2,(H2,11,12,13);/q;;+2/p-2/b2-1+;;/t;2-,4+;/m.0./s1 > LGTITIJYWRWLAZ-JMLIRCQTSA-L > 506.0464547 > C20H19MgO12P > 506.6 > C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O.C(C(C1C(=C(C(=O)O1)OP(=O)([O-])[O-])O)O)O.[Mg+2] > C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)OP(=O)([O-])[O-])O)O)O.[Mg+2] > 220 > 506.0464547 > 0 > 34 > 2 > 0 > 1 > 0 > 0 > 3 > -1 > 1 5 255 > 15 35 5 21 25 8 21 26 8 22 29 8 22 30 8 25 28 8 26 27 8 27 31 8 28 31 8 29 32 8 30 33 8 32 34 8 33 34 8 16 4 6 $$$$