70673576 -OEChem-03192405352D 64 66 0 1 0 0 0 0 0999 V2000 8.3437 3.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 1.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 0.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 3.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 1.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 4.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 7.7150 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 7.4776 2.2150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3437 1.7150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4776 3.2150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2097 2.2150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2097 3.2150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6116 3.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 4.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 5.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 5.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 6.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 6.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 6.7150 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 7.4776 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 3.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 3.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 3.1324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6127 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4787 4.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 4.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4787 6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6127 8.0250 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 13 1 0 0 0 0 1 15 1 0 0 0 0 11 2 1 6 0 0 0 2 44 1 0 0 0 0 12 3 1 1 0 0 0 3 45 1 0 0 0 0 15 4 1 1 0 0 0 4 17 1 0 0 0 0 14 5 1 6 0 0 0 5 46 1 0 0 0 0 6 16 1 0 0 0 0 6 47 1 0 0 0 0 7 22 1 0 0 0 0 7 52 1 0 0 0 0 8 29 1 0 0 0 0 8 62 1 0 0 0 0 9 30 1 0 0 0 0 9 63 1 0 0 0 0 10 36 1 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 1 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 19 21 2 0 0 0 0 19 49 1 0 0 0 0 20 22 2 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 1 0 0 0 0 24 31 2 0 0 0 0 24 32 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 27 30 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 33 1 0 0 0 0 30 33 2 0 0 0 0 31 34 1 0 0 0 0 31 57 1 0 0 0 0 32 35 2 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 36 2 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 M END > 70673576 > 1 > 525 > 10 > 8 > 5 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMEAAAAAAAABUAAAGgAACAAADBSwmAMwDoAABgCAAiBCAAACCAAgIAAIiAAGCIgdNyKGMRqieCClwBUPuAfA4BwOIQABCAAAAABCAAIQAAAAAAAAAAAAAA== > (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol;5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol > (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol > (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol > (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol > (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol > (2S,3R,4S,5S,6R)-2-(4-hydroxyphenoxy)-6-methylol-tetrahydropyran-3,4,5-triol;5-[(E)-2-(4-hydroxyphenyl)vinyl]resorcinol > InChI=1S/C14H12O3.C12H16O7/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-9,15-17H;1-4,8-17H,5H2/b2-1+;/t;8-,9-,10+,11-,12-/m.1/s1 > ZOBQSVLKQPPFIC-HPJFCKGWSA-N > 500.16824709 > C26H28O10 > 500.5 > C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O.C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O > C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O.C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O > 180 > 500.16824709 > 0 > 36 > 5 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 13 16 5 17 18 8 17 19 8 18 20 8 19 21 8 11 2 6 20 22 8 21 22 8 23 27 8 23 28 8 24 31 8 24 32 8 27 30 8 28 29 8 29 33 8 12 3 5 30 33 8 31 34 8 32 35 8 34 36 8 35 36 8 15 4 5 14 5 6 $$$$