 | | AOG | | Name: | octyl 3-amino-3-deoxy-beta-D-galactopyranoside | | Formula: | C14 H29 N O5 | | SMILES: | O(CCCCCCCC)C1OC(C(O)C(N)C1O)CO | | InChi: | InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1 | | Synonyms: | 4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL | | Definition date: | 2003-10-28 | | Last modified: | 2020-07-17 | | Identifier: | octyl 3-amino-3-deoxy-beta-D-galactopyranoside |
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 | | 3R3 | | Name: | [[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid | | Formula: | C5 H14 N O13 P3 | | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O | | InChi: | InChI=1S/C5H14NO13P3/c7-3-2(1-17-22(14,15)16)18-5(4(3)8)19-21(12,13)6-20(9,10)11/h2-5,7-8H,1H2,(H2,14,15,16)(H4,6,9,10,11,12,13)/t2-,3-,4-,5-/m1/s1 | | Definition date: | 2014-10-13 | | Last modified: | 2020-07-17 | | Release date: | 2015-12-23 | | Identifier: | [[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid |
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 | | 3S6 | | Name: | prop-2-en-1-yl beta-D-galactofuranoside | | Formula: | C9 H16 O6 | | SMILES: | O(C/C=C)C1OC(C(O)C1O)C(O)CO | | InChi: | InChI=1S/C9H16O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9-/m1/s1 | | Synonyms: | prop-2-en-1-yl beta-D-galactoside | | Definition date: | 2014-10-16 | | Last modified: | 2020-07-17 | | Release date: | 2015-07-01 | | Identifier: | prop-2-en-1-yl beta-D-galactofuranoside |
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 | | 3SA | | Name: | ACARBOSE DERIVED TRISACCHARIDE | | Formula: | C19 H33 N O13 | | SMILES: | OC3C(OC2OC(C)C(NC1C=C(CO)C(O)C(O)C1O)C(O)C2O)C(OC(O)C3O)CO | | InChi: | InChI=1S/C19H33NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h2,5,7-30H,3-4H2,1H3/t5-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19-/m1/s1 | | Synonyms: | 4-O-(4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL)-ALPHA-D-ERY
THRO-HEXOPYRANOSE | | Definition date: | 2004-09-15 | | Last modified: | 2020-07-17 | | Identifier: | 4-O-(4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose |
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 | | EQP | | Name: | (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol | | Formula: | C10 H20 N O9 P | | SMILES: | O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO | | InChi: | InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1 | | Synonyms: | (4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | (1R)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol |
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 | | EQV | | Name: | Loganic acid | | Formula: | C16 H24 O10 | | SMILES: | CC1C(CC2C(=COC(C12)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)O | | InChi: | InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1 | | Synonyms: | (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl
ic acid | | Definition date: | 2018-01-29 | | Last modified: | 2020-07-17 | | Release date: | 2018-02-07 | | Identifier: | (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl
ic acid |
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 | | ERI | | Name: | 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose | | Formula: | C9 H16 O5 | | SMILES: | O=C(OC1C(OC(O)CC1(O)C)C)C | | InChi: | InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7+,8-,9-/m0/s1 | | Synonyms: | 4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-BETA-L-ARABINO-HEXOPYRANOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-arabino-hexopyranose |
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 | | ETT | | Name: | 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid | | Formula: | C21 H27 N O8 | | SMILES: | O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1CC=Cc2ccc(cc2)C | | InChi: | InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1 | | Synonyms: | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic
acid | | Definition date: | 2010-11-24 | | Last modified: | 2020-07-17 | | Identifier: | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic
acid |
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 | | 2F8 | | Name: | methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | | Formula: | C9 H17 N O6 | | SMILES: | O=C(NC1C(O)C(O)C(OC1OC)CO)C | | InChi: | InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1 | | Synonyms: | methyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside | | Definition date: | 2013-10-08 | | Last modified: | 2020-07-17 | | Release date: | 2013-11-20 | | Identifier: | methyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside |
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 | | 2FL | | Name: | 2-FLUORO-2-DEOXY-LACTOSE | | Formula: | C12 H21 F O10 | | SMILES: | FC2C(O)C(O)C(OC2OC1C(OC(O)C(O)C1O)CO)CO | | InChi: | InChI=1S/C12H21FO10/c13-5-7(17)6(16)3(1-14)22-12(5)23-10-4(2-15)21-11(20)9(19)8(10)18/h3-12,14-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 | | Synonyms: | 2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSYL-BETA-D-GLUCOPYRANOSE | | Definition date: | 2001-09-27 | | Last modified: | 2020-07-17 | | Identifier: | 4-O-(2-deoxy-2-fluoro-beta-D-galactopyranosyl)-beta-D-glucopyranose |
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 | | 2GL | | Name: | 4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose | | Formula: | C8 H14 O5 | | SMILES: | O=C(OC1C(OC(O)CC1O)C)C | | InChi: | InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1 | | Synonyms: | 4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranose |
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 | | 2GS | | Name: | 2-O-methyl-alpha-D-galactopyranose | | Formula: | C7 H14 O6 | | SMILES: | O(C)C1C(O)C(O)C(OC1O)CO | | InChi: | InChI=1S/C7H14O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1 | | Synonyms: | 2-O-methyl-alpha-D-galactose | | Definition date: | 2006-09-26 | | Last modified: | 2020-07-17 | | Identifier: | 2-O-methyl-alpha-D-galactopyranose |
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 | | 2H5 | | Name: | 3-deoxy-3-fluoro-beta-D-galactopyranose | | Formula: | C6 H11 F O5 | | SMILES: | FC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1 | | Synonyms: | 3-deoxy-3-fluoro-beta-D-galactose | | Definition date: | 2013-10-18 | | Last modified: | 2020-07-17 | | Release date: | 2014-02-05 | | Identifier: | 3-deoxy-3-fluoro-beta-D-galactopyranose |
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 | | F1P | | Name: | 1-O-phosphono-beta-D-fructopyranose | | Formula: | C6 H13 O9 P | | SMILES: | O=P(O)(O)OCC1(O)OCC(O)C(O)C1O | | InChi: | InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1 | | Synonyms: | BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE | | Definition date: | 2006-02-28 | | Last modified: | 2020-07-17 | | Identifier: | 1-O-phosphono-beta-D-fructopyranose |
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 | | F1X | | Name: | 1-O-phosphono-beta-D-fructofuranose | | Formula: | C6 H13 O9 P | | SMILES: | O=P(OCC1(O)OC(C(O)C1O)CO)(O)O | | InChi: | InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1 | | Synonyms: | beta D-Fructose 1-phosphate | | Definition date: | 2010-08-04 | | Last modified: | 2020-07-17 | | Identifier: | 1-O-phosphono-beta-D-fructofuranose |
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 | | OI7 | | Name: | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose | | Formula: | C7 H16 O13 P2 | | SMILES: | O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O)O)C(O)C1O | | InChi: | InChI=1S/C7H16O13P2/c8-3(1-18-21(12,13)14)5-4(9)6(10)7(11,20-5)2-19-22(15,16)17/h3-6,8-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t3-,4-,5-,6+,7-/m1/s1 | | Synonyms: | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulose | | Definition date: | 2010-10-21 | | Last modified: | 2020-07-17 | | Identifier: | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose |
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 | | 2M4 | | Name: | 2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose | | Formula: | C12 H22 O11 | | SMILES: | O(C1C(O)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1 | | Definition date: | 2010-08-16 | | Last modified: | 2020-07-17 | | Identifier: | 2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose |
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 | | 2M5 | | Name: | methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside | | Formula: | C8 H16 O6 | | SMILES: | OC1C(O)C(O)C(OC1OC)C(O)C | | InChi: | InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1 | | Synonyms: | methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside | | Definition date: | 2010-08-16 | | Last modified: | 2020-07-17 | | Identifier: | methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside |
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 | | 2M8 | | Name: | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid | | Formula: | C9 H16 O9 | | SMILES: | O=C(O)C(OC1OC(C(O)C(O)C1O)CO)CO | | InChi: | InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1 | | Synonyms: | 2-O-ALPHA-MANNOSYL-D-GLYCERATE | | Definition date: | 2011-07-14 | | Last modified: | 2020-07-17 | | Identifier: | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid |
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 | | 2OS | | Name: | 3-N-OCTANOYLSUCROSE | | Formula: | C20 H36 O12 | | SMILES: | O=C(OC1C(O)C(OC(CO)C1O)OC2(OC(C(O)C2O)CO)CO)CCCCCCC | | InChi: | InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(24)30-17-14(25)11(8-21)29-19(16(17)27)32-20(10-23)18(28)15(26)12(9-22)31-20/h11-12,14-19,21-23,25-28H,2-10H2,1H3/t11-,12-,14-,15-,16-,17+,18+,19-,20+/m1/s1 | | Synonyms: | 3'-O-N-OCTANOYL-A-D-GLUCOPYRANOSYL-B-D-FRUCTOFURANOSIDE | | Definition date: | 2004-05-02 | | Last modified: | 2020-07-17 | | Identifier: | beta-D-fructofuranosyl 3-O-octanoyl-alpha-D-glucopyranoside |
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 | | ONN | | Name: | 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid | | Formula: | C26 H32 N4 O6 S2 | | SMILES: | N[CH]1CCSSC[CH](NC(=O)C[CH](Cc2ccc(O)cc2)NC1=O)C(=O)NCc3ccccc3CC(O)=O | | InChi: | InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1 | | Definition date: | 2020-03-21 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid |
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 | | 3YW | | Name: | (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | | Formula: | C11 H21 N O8 | | SMILES: | O=C(NC1C(O)C(O)C(OC1OCC(O)CO)CO)C | | InChi: | InChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1 | | Synonyms: | (2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside | | Definition date: | 2014-12-10 | | Last modified: | 2020-07-17 | | Release date: | 2015-02-25 | | Identifier: | (2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside |
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 | | OPM | | Name: | pentyl alpha-D-mannopyranoside | | Formula: | C11 H22 O6 | | SMILES: | O(CCCCC)C1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1 | | Synonyms: | O1-PENTYL-MANNOSE | | Definition date: | 2002-07-10 | | Last modified: | 2020-07-17 | | Identifier: | pentyl alpha-D-mannopyranoside |
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 | | 40J | | Name: | 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside | | Formula: | C12 H19 Cl3 O8 | | SMILES: | ClC2C(OC(OC1(OC(C(O)C1O)CCl)CCl)C(O)C2O)CO | | InChi: | InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1 | | Synonyms: | sucralose | | Definition date: | 2015-01-02 | | Last modified: | 2020-07-17 | | Release date: | 2015-12-23 | | Identifier: | 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside |
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 | | OSU | | Name: | N-OCTANOYLSUCROSE | | Formula: | C20 H36 O12 | | SMILES: | O=C(OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C(O)C2O)CO)CCCCCCC | | InChi: | InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-15(25)18(28)20(10-22,31-12)32-19-17(27)16(26)14(24)11(8-21)30-19/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1 | | Synonyms: | N-OCTANOYL-B-D-FRUCTOFURANOSYL-A-D-GLUCOPYRANOSIDE | | Definition date: | 2003-07-14 | | Last modified: | 2020-07-17 | | Identifier: | 6-O-octanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside |
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