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A1Q

A1Q
Name:	methyl L-glycero-alpha-D-manno-heptopyranoside
Formula:	C8 H16 O7
SMILES:	OC1C(O)C(O)C(OC1OC)C(O)CO
InChi:	InChI=1S/C8H16O7/c1-14-8-6(13)4(11)5(12)7(15-8)3(10)2-9/h3-13H,2H2,1H3/t3-,4-,5-,6-,7+,8-/m0/s1
Synonyms:	ALPHA-METHYL HEPTOPYRANOSE
Definition date:	2012-03-26
Last modified:	2020-07-17
Identifier:	methyl (5R)-5-[(1S)-1,2-dihydroxyethyl]-alpha-D-lyxopyranoside

A5C

A5C
Name:	alpha-L-talofuranose
Formula:	C6 H12 O6
SMILES:	OC1C(OC(O)C1O)C(O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4+,5+,6+/m0/s1
Synonyms:	alpha-L-talose
Definition date:	2011-03-19
Last modified:	2020-07-17
Identifier:	alpha-L-talofuranose

A6P

A6P
Name:	6-O-phosphono-alpha-D-allopyranose
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:	6-O-phosphono-alpha-D-allose
Definition date:	2008-06-10
Last modified:	2020-07-17
Identifier:	6-O-phosphono-alpha-D-allopyranose

3J3

3J3
Name:	(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol
Formula:	C11 H22 N2 O10 S2
SMILES:	O=S(=O)(N1CCC(OS(=O)(=O)N)CC1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C11H22N2O10S2/c12-25(20,21)23-6-1-3-13(4-2-6)24(18,19)11-10(17)9(16)8(15)7(5-14)22-11/h6-11,14-17H,1-5H2,(H2,12,20,21)/t7-,8+,9+,10-,11-/m1/s1
Definition date:	2014-08-22
Last modified:	2020-07-17
Release date:	2014-10-15
Identifier:	(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol

3J4

3J4
Name:	(6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol
Formula:	C10 H20 N2 O10 S2
SMILES:	O=S(=O)(N1CCC(OS(=O)(=O)N)C1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C10H20N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-10,13-16H,1-4H2,(H2,11,19,20)/t5-,6?,7-,8+,9+,10+/m1/s1
Definition date:	2014-08-25
Last modified:	2020-07-17
Release date:	2014-10-15
Identifier:	(6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol

3LJ

3LJ
Name:	2-amino-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Formula:	C6 H13 N O8 S
SMILES:	O=S(=O)(O)OCC1OC(O)C(N)C(O)C1O
InChi:	InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	N-acetyl-6-O-sulfo-alpha-D-glucosamine
Definition date:	2014-09-12
Last modified:	2020-07-17
Release date:	2014-11-05
Identifier:	2-amino-2-deoxy-6-O-sulfo-alpha-D-glucopyranose

3MG

3MG
Name:	3-O-methyl-beta-D-glucopyranose
Formula:	C7 H14 O6
SMILES:	O(C1C(O)C(OC(O)C1O)CO)C
InChi:	InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1
Synonyms:	3-O-methyl-beta-D-glucose
Definition date:	2007-08-22
Last modified:	2020-07-17
Identifier:	3-O-methyl-beta-D-glucopyranose

3MK

3MK
Name:	beta-L-altropyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6-/m0/s1
Synonyms:	beta-L-altrose
Definition date:	2010-04-19
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	beta-L-altropyranose

JFZ

JFZ
Name:	4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside
Formula:	C12 H15 N O7
SMILES:	C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12-/m0/s1
Synonyms:	4-nitrophenyl-alpha-L-fucose
Definition date:	2019-02-19
Last modified:	2020-07-17
Release date:	2019-02-27
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol

3R3

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

3S6

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

3SA

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

V01

V01
Name:	N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
Formula:	C24 H21 N5 O4
SMILES:	O=C1Nc2c(OC1)cc(cc2)C(=O)N(Cc3ccc(cc3)C(Nc4ncncc4)=O)C5CC5
InChi:	InChI=1S/C24H21N5O4/c30-22-13-33-20-11-17(5-8-19(20)27-22)24(32)29(18-6-7-18)12-15-1-3-16(4-2-15)23(31)28-21-9-10-25-14-26-21/h1-5,8-11,14,18H,6-7,12-13H2,(H,27,30)(H,25,26,28,31)
Definition date:	2020-06-09
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide

6BG

6BG
Name:	6-bromo-6-deoxy-beta-D-glucopyranose
Formula:	C6 H11 Br O5
SMILES:	BrCC1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H11BrO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	6-bromo-6-deoxy-beta-D-glucose
Definition date:	2012-08-08
Last modified:	2020-07-17
Release date:	2012-10-12
Identifier:	6-bromo-6-deoxy-beta-D-glucopyranose

6C2

6C2
Name:	methyl 2-acetamido-2-deoxy-beta-D-glucopyranosiduronic acid
Formula:	C9 H15 N O7
SMILES:	OC1C(OC(C(C1O)NC(=O)C)OC)C(O)=O
InChi:	InChI=1S/C9H15NO7/c1-3(11)10-4-5(12)6(13)7(8(14)15)17-9(4)16-2/h4-7,9,12-13H,1-2H3,(H,10,11)(H,14,15)/t4-,5-,6+,7+,9-/m1/s1
Synonyms:	methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosiduronic acid
Definition date:	2015-03-05
Last modified:	2020-07-17
Release date:	2016-04-06
Identifier:	methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosiduronic acid

V1G

V1G
Name:	(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide
Formula:	C28 H27 F2 N5 O4
SMILES:	CC(c4cc(F)c5C(=O)N(c3c(c(C=2C=C(NC(=O)C1C(C1)F)C(=O)N(C=2)C)ccn3)CO)N=Cc5c4)(C)C
InChi:	InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m1/s1
Definition date:	2020-06-12
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide

6DM

6DM
Name:	6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose
Formula:	C12 H22 O11
SMILES:	C(C1C(O)C(O)C(O)C(O1)O)OC2C(C(O)C(C(O2)CO)O)O
InChi:	InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12+/m1/s1
Synonyms:	alpha 1,6 mannobiose
Definition date:	2016-02-19
Last modified:	2020-07-17
Release date:	2016-12-21
Identifier:	6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose

V3P

V3P
Name:	4-iodophenyl 1,4-dithio-beta-D-glucopyranoside
Formula:	C12 H15 I O4 S2
SMILES:	C1(C(CO)OC(C(C1O)O)Sc2ccc(cc2)I)S
InChi:	InChI=1S/C12H15IO4S2/c13-6-1-3-7(4-2-6)19-12-10(16)9(15)11(18)8(5-14)17-12/h1-4,8-12,14-16,18H,5H2/t8-,9-,10-,11-,12+/m1/s1
Definition date:	2020-06-21
Last modified:	2020-07-17
Release date:	2020-07-01
Identifier:	4-iodophenyl 1,4-dithio-beta-D-glucopyranoside

6GB

6GB
Name:	6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose
Formula:	C12 H23 O14 P
SMILES:	O=P(O)(O)OCC2OC(OCC1OC(O)C(O)C(O)C1O)C(O)C(O)C2O
InChi:	InChI=1S/C12H23O14P/c13-5-3(25-11(19)9(17)7(5)15)1-23-12-10(18)8(16)6(14)4(26-12)2-24-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
Synonyms:	gentiobiose 6-phosphate
Definition date:	2012-08-24
Last modified:	2020-07-17
Release date:	2012-09-28
Identifier:	6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose

6GP

6GP
Name:	N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine
Formula:	C9 H15 N O8
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OC
InChi:	InChI=1S/C9H15NO8/c1-17-9(16)7(15)10-8-6(14)5(13)4(12)3(2-11)18-8/h3-6,8,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6-,8-/m1/s1
Synonyms:	METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE
Definition date:	2006-01-25
Last modified:	2020-07-17
Identifier:	N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine

6GR

6GR
Name:	2-(alpha-L-altropyranosyloxy)benzoic acid
Formula:	C13 H16 O8
SMILES:	C2(O)C(O)C(Oc1c(C(=O)O)cccc1)OC(C2O)CO
InChi:	InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10-,11+,13+/m0/s1
Synonyms:	2-(alpha-L-altrosyloxy)benzoic acid
Definition date:	2016-04-07
Last modified:	2020-07-17
Release date:	2019-10-09
Identifier:	2-(alpha-L-altropyranosyloxy)benzoic acid

V71

V71
Name:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside
Formula:	C12 H25 F N4 O5
SMILES:	C1(C(C(O)C(C(CN)O1)F)N)OC2C(C(O)C(N)CC2N)O
InChi:	InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6+,7-,8+,9+,10-,11-,12-/m1/s1
Synonyms:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactoside
Definition date:	2015-06-17
Last modified:	2020-07-17
Release date:	2016-06-22
Identifier:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside

6K3

6K3
Name:	heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside
Formula:	C13 H25 F O5
SMILES:	CCCCCCCO[CH]1O[CH](CO)[CH](F)[CH](O)[CH]1O
InChi:	InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(14)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1
Synonyms:	4-Fluoro-Heptylmannoside
Definition date:	2016-05-27
Last modified:	2020-07-17
Release date:	2017-06-21
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-2-heptoxy-6-(hydroxymethyl)oxane-3,4-diol

6KH

6KH
Name:	heptyl 3-fluoro-alpha-D-mannopyranoside
Formula:	C13 H25 F O5
SMILES:	CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](F)[CH]1O
InChi:	InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)10(14)11(16)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10+,11-,12+,13+/m1/s1
Synonyms:	3-Fluoro-Heptylmannoside
Definition date:	2016-05-27
Last modified:	2020-07-17
Release date:	2017-06-21
Identifier:	(2~{S},3~{R},4~{S},5~{R},6~{R})-4-fluoranyl-2-heptoxy-6-(hydroxymethyl)oxane-3,5-diol

6KL

6KL
Name:	methyl 4,5-bisacetamido-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:	C14 H24 N2 O9
SMILES:	C(O)(C1(OC)OC(C(C(C1)NC(C)=O)NC(C)=O)C(C(CO)O)O)=O
InChi:	InChI=1S/C14H24N2O9/c1-6(18)15-8-4-14(24-3,13(22)23)25-12(10(8)16-7(2)19)11(21)9(20)5-17/h8-12,17,20-21H,4-5H2,1-3H3,(H,15,18)(H,16,19)(H,22,23)/t8-,9+,10+,11+,12+,14+/m0/s1
Synonyms:	methyl 4,5-bis(acetylamino)-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Definition date:	2016-04-22
Last modified:	2020-07-17
Release date:	2016-05-11
Identifier:	methyl 4,5-bis(acetylamino)-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

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