| BDZ | Name: | 6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-(ace
tylamino)-2-deoxy-beta-D-glucopyranose | Formula: | C26 H45 N O19 | SMILES: | C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](CO)O[CH](O)[CH](NC(C)=O)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)45-21-11(27-8(3)30)23(39)42-10(5-29)20(21)44-26-22(17(36)14(33)9(4-28)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-/m0/s1 | Definition date: | 2010-01-26 | Last modified: | 2020-07-17 | Identifier: | N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]ethanamide |
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| PKM | Name: | 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid | Formula: | C13 H21 N O10 | SMILES: | C(=O)(O)C1(O)CC(OC(=O)C)C(C(O1)C(C(O)CO)O)NC(C)=O | InChi: | InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13-/m1/s1 | Synonyms: | 4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid | Definition date: | 2019-08-14 | Last modified: | 2020-07-17 | Release date: | 2020-02-12 | Identifier: | 4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid |
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| BFN | Name: | 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid | Formula: | C18 H23 F N2 O9 | SMILES: | O=C(c1ccccc1)NCC(O)C(O)C2OC(O)(C(=O)O)C(F)C(O)C2NC(=O)C | InChi: | InChI=1S/C18H23FN2O9/c1-8(22)21-11-13(25)15(19)18(29,17(27)28)30-14(11)12(24)10(23)7-20-16(26)9-5-3-2-4-6-9/h2-6,10-15,23-25,29H,7H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t10-,11-,12-,13-,14-,15-,18+/m1/s1 | Synonyms: | 5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid | Definition date: | 2007-11-07 | Last modified: | 2020-07-17 | Identifier: | 5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid |
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| BG6 | Name: | 6-O-phosphono-beta-D-glucopyranose | Formula: | C6 H13 O9 P | SMILES: | O=P(O)(O)OCC1OC(O)C(O)C(O)C1O | InChi: | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 | Synonyms: | BETA-D-GLUCOSE-6-PHOSPHATE | Definition date: | 2000-08-29 | Last modified: | 2020-07-17 | Identifier: | 6-O-phosphono-beta-D-glucopyranose |
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| BG8 | Name: | 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose | Formula: | C13 H17 N O6 | SMILES: | C2(C(NC(c1ccccc1)=O)C(OC(C2O)CO)O)O | InChi: | InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13-/m1/s1 | Synonyms: | N-benzoyl-beta-D-glucosamine | Definition date: | 2015-06-02 | Last modified: | 2020-07-17 | Release date: | 2015-06-17 | Identifier: | 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose |
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| BGL | Name: | 2-O-octyl-beta-D-glucopyranose | Formula: | C14 H28 O6 | SMILES: | O(CCCCCCCC)C1C(O)C(O)C(OC1O)CO | InChi: | InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-13-12(17)11(16)10(9-15)20-14(13)18/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1 | Synonyms: | 2-O-octyl-beta-D-glucose | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 2-O-octyl-beta-D-glucopyranose |
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| BGN | Name: | 2-(butanoylamino)-2-deoxy-beta-D-glucopyranose | Formula: | C10 H19 N O6 | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)CCC | InChi: | InChI=1S/C10H19NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7-,8-,9-,10-/m1/s1 | Synonyms: | N-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDE | Definition date: | 2001-07-31 | Last modified: | 2020-07-17 | Identifier: | 2-(butanoylamino)-2-deoxy-beta-D-glucopyranose |
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| BGP | Name: | 6-O-phosphono-beta-D-galactopyranose | Formula: | C6 H13 O9 P | SMILES: | O=P(O)(O)OCC1OC(O)C(O)C(O)C1O | InChi: | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1 | Synonyms: | BETA-GALACTOSE-6-PHOSPHATE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 6-O-phosphono-beta-D-galactopyranose |
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| BGS | Name: | (1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol | Formula: | C8 H16 O7 S | SMILES: | O=S(=O)(C1OC(C(O)C(O)C1O)CO)CC | InChi: | InChI=1S/C8H16O7S/c1-2-16(13,14)8-7(12)6(11)5(10)4(3-9)15-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1 | Synonyms: | BETA-D-GLUCOPYRANOSYLSULFONYLETHANE | Definition date: | 2005-10-26 | Last modified: | 2020-07-17 | Identifier: | (1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol |
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| PNA | Name: | 4-nitrophenyl alpha-D-mannopyranoside | Formula: | C12 H15 N O8 | SMILES: | [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2 | InChi: | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12+/m1/s1 | Synonyms: | 4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 4-nitrophenyl alpha-D-mannopyranoside |
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| PNG | Name: | 4-nitrophenyl alpha-D-glucopyranoside | Formula: | C12 H15 N O8 | SMILES: | [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2 | InChi: | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1 | Synonyms: | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 4-nitrophenyl alpha-D-glucopyranoside |
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| PNJ | Name: | 4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside | Formula: | C12 H16 N2 O7 | SMILES: | N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O | InChi: | InChI=1S/C12H16N2O7/c13-9-11(17)10(16)8(5-15)21-12(9)20-7-3-1-6(2-4-7)14(18)19/h1-4,8-12,15-17H,5,13H2/t8-,9-,10-,11-,12-/m1/s1 | Synonyms: | PNP-BETA-D-GLUCOSAMINE | Definition date: | 2008-08-05 | Last modified: | 2020-07-17 | Identifier: | (2~{R},3~{S},4~{R},5~{R},6~{S})-5-azanyl-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4-diol |
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| BHG | Name: | hexyl beta-D-galactopyranoside | Formula: | C12 H24 O6 | SMILES: | O(CCCCCC)C1OC(C(O)C(O)C1O)CO | InChi: | InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9+,10+,11-,12-/m1/s1 | Synonyms: | 2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL | Definition date: | 2000-10-11 | Last modified: | 2020-07-17 | Identifier: | hexyl beta-D-galactopyranoside |
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| PNW | Name: | 4-nitrophenyl beta-D-glucopyranoside | Formula: | C12 H15 N O8 | SMILES: | [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2 | InChi: | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 | Synonyms: | 4'-NITROPHENYL-BETA-D-GLUCOPYRANOSIDE | Definition date: | 2010-05-25 | Last modified: | 2020-07-17 | Identifier: | 4-nitrophenyl beta-D-glucopyranoside |
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| PPC | Name: | 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose | Formula: | C6 H15 O13 P3 | SMILES: | O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)CP(=O)(O)O | InChi: | InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1 | Synonyms: | 5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) PYROPHOSPHATE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose |
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| 56N | Name: | phenyl beta-D-galactopyranoside | Formula: | C12 H16 O6 | SMILES: | OC1C(OC(C(O)C1O)CO)Oc2ccccc2 | InChi: | InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1 | Synonyms: | phenyl beta-D-galactoside | Definition date: | 2015-08-05 | Last modified: | 2020-07-17 | Release date: | 2015-11-25 | Identifier: | phenyl beta-D-galactopyranoside |
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| 57S | Name: | 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol | Formula: | C13 H26 N O13 P | SMILES: | C1(C(NC(C)=O)C(C(C(O1)CO)O)O)OC(COP(O)(O)=O)C(O)C(CO)O | InChi: | InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)7(3-16)26-13(9)27-8(4-25-28(22,23)24)10(19)6(18)2-15/h6-13,15-16,18-21H,2-4H2,1H3,(H,14,17)(H2,22,23,24)/t6-,7+,8+,9+,10-,11+,12+,13-/m0/s1 | Synonyms: | 4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol | Definition date: | 2015-08-12 | Last modified: | 2020-07-17 | Release date: | 2015-11-11 | Identifier: | 4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol |
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| PRP | Name: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose | Formula: | C5 H13 O14 P3 | SMILES: | O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O | InChi: | InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1 | Synonyms: | ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 1-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose |
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| PSG | Name: | 4-nitrophenyl 1-thio-beta-D-glucopyranoside | Formula: | C12 H15 N O7 S | SMILES: | [O-][N+](=O)c2ccc(SC1OC(C(O)C(O)C1O)CO)cc2 | InChi: | InChI=1S/C12H15NO7S/c14-5-8-9(15)10(16)11(17)12(20-8)21-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1 | Synonyms: | PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE | Definition date: | 2000-05-03 | Last modified: | 2020-07-17 | Identifier: | 4-nitrophenyl 1-thio-beta-D-glucopyranoside |
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| 5GO | Name: | 4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose | Formula: | C12 H22 O14 S | SMILES: | C1(C(C(C(C(CO)O1)O)OS(=O)(O)=O)O)OC2C(C(C(O)OC2CO)O)O | InChi: | InChI=1S/C12H22O14S/c13-1-3-5(15)10(26-27(20,21)22)8(18)12(24-3)25-9-4(2-14)23-11(19)7(17)6(9)16/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1 | Definition date: | 2015-09-24 | Last modified: | 2020-07-17 | Release date: | 2016-02-17 | Identifier: | 4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose |
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| 9KJ | Name: | {[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid | Formula: | C13 H26 N O12 P | SMILES: | C(C2C(OC1C(O)C(C(C(CO)O1)O)O)C(C(N2CP(=O)(O)O)CO)O)O | InChi: | InChI=1S/C13H26NO12P/c15-1-5-8(18)12(6(2-16)14(5)4-27(22,23)24)26-13-11(21)10(20)9(19)7(3-17)25-13/h5-13,15-21H,1-4H2,(H2,22,23,24)/t5-,6-,7-,8-,9-,10+,11-,12-,13-/m1/s1 | Synonyms: | {[(2R,3R,4R,5R)-3-(alpha-D-glucosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid | Definition date: | 2017-05-17 | Last modified: | 2020-07-17 | Release date: | 2017-06-07 | Identifier: | {[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid |
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| Q44 | Name: | N-(6-oxo-6,9-dihydro-3H-purin-2-yl)acetamide | Formula: | C7 H7 N5 O2 | SMILES: | C1(N=C(NC(C)=O)Nc2c1ncn2)=O | InChi: | InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14) | Definition date: | 2019-09-19 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | N-(6-oxo-6,9-dihydro-3H-purin-2-yl)acetamide |
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| Q6B | Name: | [(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate | Formula: | C44 H70 O9 | SMILES: | C[CH](O)C[CH](O)[CH](C)C=C(C)C[CH](C)[CH]1CC=C(C)C[CH](C)[CH](CCCC(=O)O1)OC(=O)C=CC(C)=CC(C)=CC=CC(C)=C[CH](O)[CH](O)C[CH](C)O | InChi: | InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17-,32-23-/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1 | Definition date: | 2020-05-22 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | [(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate |
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| 9NW | Name: | 2,5-bis(chloranyl)-~{N}-[[5-[(cyclohexylamino)methyl]-2~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide | Formula: | C16 H21 Cl2 N5 O2 S | SMILES: | Clc1ccc(Cl)c(c1)[S](=O)(=O)NCc2n[nH]nc2CNC3CCCCC3 | InChi: | InChI=1S/C16H21Cl2N5O2S/c17-11-6-7-13(18)16(8-11)26(24,25)20-10-15-14(21-23-22-15)9-19-12-4-2-1-3-5-12/h6-8,12,19-20H,1-5,9-10H2,(H,21,22,23) | Definition date: | 2017-06-13 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | 2,5-bis(chloranyl)-~{N}-[[5-[(cyclohexylamino)methyl]-2~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide |
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| 9OK | Name: | 2-(3,4-dihydroxyphenyl)ethyl beta-D-fructofuranoside | Formula: | C14 H20 O8 | SMILES: | OC[CH]1O[C](CO)(OCCc2ccc(O)c(O)c2)[CH](O)[CH]1O | InChi: | InChI=1S/C14H20O8/c15-6-11-12(19)13(20)14(7-16,22-11)21-4-3-8-1-2-9(17)10(18)5-8/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1 | Synonyms: | fructosyl-hydroxytyrosol | Definition date: | 2017-06-19 | Last modified: | 2020-07-17 | Release date: | 2018-11-28 | Identifier: | (2~{R},3~{S},4~{S},5~{R})-2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol |
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