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KOT
KOT
表記:1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
組成式:C14 H17 N3 O5
SMILES:n1nn(cc1c2ccccc2)C3OC(C(O)C(O)C3O)CO
InChi:InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2/t10-,11-,12+,13-,14-/m1/s1
別名:1-beta-D-glucosyl-4-phenyl-1H-1,2,3-triazole
定義日:2009-02-05
最終更新日:2020-07-17
識別子（ID）:1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
12E
12E
表記:N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
組成式:C13 H18 N4 O5 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccncc2
InChi:InChI=1S/C13H18N4O5S/c18-6-8-9(19)10(20)11(21)12(22-8)16-13(23)17-15-5-7-1-3-14-4-2-7/h1-5,8-12,18-21H,6H2,(H2,16,17,23)/b15-5+/t8-,9-,10+,11-,12-/m1/s1
別名:4-pyridinecarboxaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:2010-04-30
最終更新日:2020-07-17
識別子（ID）:N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
145
145
表記:2-nitrophenyl beta-D-galactopyranoside
組成式:C12 H15 N O8
SMILES:[O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)CO)cccc2
InChi:InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
別名:1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE
定義日:2001-09-26
最終更新日:2020-07-17
識別子（ID）:2-nitrophenyl beta-D-galactopyranoside
147
147
表記:4-nitrophenyl beta-D-galactopyranoside
組成式: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
別名:1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE
定義日:2001-09-27
最終更新日:2020-07-17
識別子（ID）:4-nitrophenyl beta-D-galactopyranoside
149
149
表記:D-galactonolactone
組成式:C6 H10 O6
SMILES:O=C1OC(CO)C(O)C(O)C1O
InChi:InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1
別名:(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
定義日:2001-10-02
最終更新日:2020-07-17
識別子（ID）:(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)
14T
14T
表記:3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside
組成式:C14 H15 F4 N O6
SMILES:FC(F)C(=O)NC2C(O)C(O)C(OC2Oc1cc(F)c(F)cc1)CO
InChi:InChI=1S/C14H15F4NO6/c15-6-2-1-5(3-7(6)16)24-14-9(19-13(23)12(17)18)11(22)10(21)8(4-20)25-14/h1-3,8-12,14,20-22H,4H2,(H,19,23)/t8-,9-,10-,11-,14-/m1/s1
別名:3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucoside
定義日:2009-12-08
最終更新日:2020-07-17
識別子（ID）:3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside
IPT
IPT
表記:1-methylethyl 1-thio-beta-D-galactopyranoside
組成式:C9 H18 O5 S
SMILES:S(C(C)C)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
別名:ISOPROPYL-1-BETA-D-THIOGALACTOSIDE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:1-methylethyl 1-thio-beta-D-galactopyranoside
15L
15L
表記:D-galactaro-1,5-lactone
組成式:C6 H8 O7
SMILES:O=C(O)C1OC(=O)C(O)C(O)C1O
InChi:InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2+,3+,4-/m0/s1
別名:galactaro-1,5-lactone
定義日:2011-04-11
最終更新日:2020-07-17
識別子（ID）:(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
16F
16F
表記:N-({(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:C14 H19 N3 O6 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2cccc(O)c2
InChi:InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-2-1-3-8(19)4-7/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5-/t9-,10-,11+,12-,13-/m1/s1
別名:3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:2010-04-30
最終更新日:2020-07-17
識別子（ID）:N-{[(2Z)-2-(3-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
16G
16G
表記:2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
組成式:C8 H16 N O9 P
SMILES:O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1
別名:N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE
定義日:2000-09-13
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
16O
16O
表記:N-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:C14 H18 Br N3 O5 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(Br)cc2
InChi:InChI=1S/C14H18BrN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:4-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:2010-05-03
最終更新日:2020-07-17
識別子（ID）:N-{[(2E)-2-(4-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
ISD
ISD
表記:ISOASCORBIC ACID
組成式:C6 H8 O6
SMILES:O=C1OC(C(O)=C1O)C(O)CO
InChi:InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1
別名:(5R)-5-[(1R)-1,2-DIHYDROXYETHYL]-3,4-DIHYDROXYFURAN-2(5H)-ONE
定義日:2007-04-24
最終更新日:2020-07-17
識別子（ID）:(5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)
ISL
ISL
表記:6-O-alpha-D-glucopyranosyl-D-fructose
組成式:C12 H22 O11
SMILES:O=C(CO)C(O)C(O)C(O)COC1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
別名:6-O-alpha-D-glucosyl-D-fructose
定義日:2012-10-03
最終更新日:2020-07-17
公開日:2013-09-25
識別子（ID）:6-O-alpha-D-glucopyranosyl-D-fructose
17T
17T
表記:N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:C14 H18 Cl N3 O5 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(Cl)cc2
InChi:InChI=1S/C14H18ClN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine
定義日:2010-05-03
最終更新日:2020-07-17
識別子（ID）:N-{[(2E)-2-(4-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
ISX
ISX
表記:(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside
組成式:C12 H23 N O8
SMILES:O(C1CNCC(CO)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H23NO8/c14-3-5-1-13-2-6(8(5)16)20-12-11(19)10(18)9(17)7(4-15)21-12/h5-19H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1
別名:GLUCOSE BETA-1,3-ISOFAGAMINE
定義日:2005-06-27
最終更新日:2020-07-17
識別子（ID）:(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside
18D
18D
表記:3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
組成式:C12 H21 N O9
SMILES:O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C1
InChi:InChI=1S/C12H21NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h5-6,8-10,14-16,18,21H,2-4H2,1H3,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12+/m0/s1
別名:3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosonic acid
定義日:2009-04-27
最終更新日:2020-07-17
識別子（ID）:3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
18O
18O
表記:N-({(2E)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:C14 H18 N4 O7 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc([N+]([O-])=O)cc2
InChi:InChI=1S/C14H18N4O7S/c19-6-9-10(20)11(21)12(22)13(25-9)16-14(26)17-15-5-7-1-3-8(4-2-7)18(23)24/h1-5,9-13,19-22H,6H2,(H2,16,17,26)/b15-5+/t9-,10-,11+,12-,13-/m1/s1
別名:4-nitrobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:2010-05-03
最終更新日:2020-07-17
識別子（ID）:N-{[(2E)-2-(4-nitrobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
IWP
IWP
表記:5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol
組成式:C17 H11 F2 N5 O2
SMILES:c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F
InChi:InChI=1S/C17H11F2N5O2/c18-11-4-2-1-3-10(11)9-24-15(13-5-6-26-23-13)7-14(22-24)16-20-8-12(19)17(25)21-16/h1-8H,9H2,(H,20,21,25)
定義日:2020-04-29
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol
IXD
IXD
表記:4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid
組成式:C6 H8 O9 S
SMILES:O[CH]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
InChi:InChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4-,6-/m1/s1
別名:4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enuronic acid
定義日:2009-08-19
最終更新日:2020-07-17
識別子（ID）:(2~{R},3~{R},4~{R})-2,4-bis(oxidanyl)-3-sulfooxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid
604
604
表記:2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e
組成式:C19 H21 Br N2 O10 S
SMILES:Cc1oc(cc1C(O)=O)[S](=O)(=O)NC[CH]2O[CH](O)[CH](NC(=O)c3cccc(Br)c3)[CH](O)[CH]2O
InChi:InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19+/m1/s1
別名:5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m ethyl-furan-3-carboxylic acid
定義日:2016-01-07
最終更新日:2020-07-17
公開日:2016-03-30
識別子（ID）:5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m ethyl-furan-3-carboxylic acid
61J
61J
表記:(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
組成式:C8 H17 O7 P
SMILES:C1(C)C(C(C(C(O1)CCOP(=O)O)O)O)O
InChi:InChI=1S/C8H17O7P/c1-4-6(9)8(11)7(10)5(15-4)2-3-14-16(12)13/h4-11,16H,2-3H2,1H3,(H,12,13)/t4-,5-,6+,7+,8+/m0/s1
定義日:2016-01-13
最終更新日:2020-07-17
公開日:2016-03-02
識別子（ID）:(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
62I
62I
表記:(6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol
組成式:C13 H24 N2 O11 S2
SMILES:C1(C(O)C(O)C(C(COC(=O)C)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N
InChi:InChI=1S/C13H24N2O11S2/c1-7(16)24-6-9-10(17)11(18)12(19)13(25-9)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,17-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1
定義日:2015-05-21
最終更新日:2020-07-17
公開日:2015-08-26
識別子（ID）:(6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol
JHM
JHM
表記:2-deoxy-6-O-sulfo-alpha-D-glucopyranose
組成式:C6 H12 O8 S
SMILES:O=S(=O)(O)OCC1OC(O)CC(O)C1O
InChi:InChI=1S/C6H12O8S/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H,10,11,12)/t3-,4-,5+,6+/m1/s1
別名:2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose
定義日:2010-09-27
最終更新日:2020-07-17
識別子（ID）:2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose
64K
64K
表記:alpha-D-arabinopyranose
組成式:C5 H10 O5
SMILES:OC1C(OCC(C1O)O)O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m1/s1
別名:alpha-D-arabinose
定義日:2016-01-25
最終更新日:2020-07-17
公開日:2016-03-02
識別子（ID）:alpha-D-arabinopyranose
66O
66O
表記:alpha-L-6-dexoy-gulopyranose
組成式:C6 H12 O5
SMILES:C1(C(C(C(O)C(C)O1)O)O)O
InChi:InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4-,5-,6+/m0/s1
別名:alpha-L-6-dexoy-gulose
定義日:2016-02-04
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:6-deoxy-alpha-L-gulopyranose

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