5280372 -OEChem-05260914122D 46 47 0 1 0 0 0 0 0999 V2000 5.1350 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 4.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 3.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 13 2 1 1 0 0 0 2 15 1 0 0 0 0 9 3 1 1 0 0 0 3 32 1 0 0 0 0 10 4 1 6 0 0 0 4 33 1 0 0 0 0 11 5 1 6 0 0 0 5 34 1 0 0 0 0 6 14 1 0 0 0 0 6 35 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 24 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 1 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END > 1 > 5280372 > 1 > 404 > 8 > 5 > 6 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAAABAAAAGgAACAAADBSwmAMyDoAABgCAAiBCAAACCAAgIAAIiAAGiIgdNiKEMRqieCKlwBEPuAfA4BwOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]tetrahydropyran-3,4,5-triol > (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]tetrahydropyran-3,4,5-triol > (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol > (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]oxane-3,4,5-triol > (2S,3R,4S,5S,6R)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol > InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1 > SFLMUHDGSQZDOW-FAOXUISGSA-N > -1.3 > 342.131468 > C16H22O8 > 342.34108 > COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O > COC1=C(C=CC(=C1)/C=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O > 129 > 342.131468 > 0 > 24 > 5 > 0 > 1 > 0 > 0 > 1 > 1 > 57390315 > 2 > BioCyc > CPD-1777 > TYPES: Unclassified-Compounds Is a product of enzyme EC 2.4.1.111 Is a reactant of enzyme EC 3.2.1.126 > LIGAND , C00761 CPD-1777 coniferin coniferyl alcohol-4-O-beta-D-glucopyranoside > CPD-1777 > http://www.biocyc.org > http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=CPD-1777 > 5280372 1 > 1 5 255 > 12 14 5 15 16 8 15 17 8 16 18 8 17 19 8 18 20 8 19 20 8 13 2 5 9 3 5 10 4 6 11 5 6 $$$$