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34V

34V
Name:	beta-L-ribulofuranose
Formula:	C5 H10 O5
SMILES:	OCC1(O)OCC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5-/m0/s1
Synonyms:	beta-L-ribulose
Definition date:	2014-06-17
Last modified:	2020-07-17
Release date:	2014-09-03
Identifier:	beta-L-ribulofuranose

IWP

IWP
Name:	5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol
Formula:	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)
Definition date:	2020-04-29
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol

IXD

IXD
Name:	4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid
Formula:	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
Synonyms:	4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enuronic acid
Definition date:	2009-08-19
Last modified:	2020-07-17
Identifier:	(2~{R},3~{R},4~{R})-2,4-bis(oxidanyl)-3-sulfooxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

79J

79J
Name:	4-O-acetyl-5-acetamido-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Formula:	C13 H21 N O10
SMILES:	C(O)(=O)C1(CC(OC(C)=O)C(C(O1)C(C(CO)O)O)NC(=O)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+/m0/s1
Synonyms:	4-O-acetyl-5-(acetylamino)-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Definition date:	2016-09-16
Last modified:	2020-07-17
Release date:	2017-03-22
Identifier:	4-O-acetyl-5-(acetylamino)-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

7CV

7CV
Name:	6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose
Formula:	C8 H16 O5
SMILES:	C1(O)C(OC)C(C(C(O1)C)O)OC
InChi:	InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7+,8+/m0/s1
Synonyms:	6-deoxy-2,3-di-O-methyl-alpha-L-mannose
Definition date:	2016-10-05
Last modified:	2020-07-17
Release date:	2017-10-18
Identifier:	6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose

7D1

7D1
Name:	1,5-anhydro-2-deoxy-D-arabino-hexitol
Formula:	C6 H12 O4
SMILES:	OC[CH]1OCC[CH](O)[CH]1O
InChi:	InChI=1S/C6H12O4/c7-3-5-6(9)4(8)1-2-10-5/h4-9H,1-3H2/t4-,5-,6+/m1/s1
Synonyms:	(2~{R},3~{S},4~{R})-2-(hydroxymethyl)oxane-3,4-diol
Definition date:	2016-10-07
Last modified:	2020-07-17
Release date:	2017-01-11
Identifier:	(2~{R},3~{S},4~{R})-2-(hydroxymethyl)oxane-3,4-diol

J5B

J5B
Name:	(3R)-3-hydroxybutyl alpha-D-glucopyranoside
Formula:	C10 H20 O7
SMILES:	C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6-,7-,8+,9-,10+/m1/s1
Synonyms:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol
Definition date:	2019-01-26
Last modified:	2020-07-17
Release date:	2019-02-06
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol

7GP

7GP
Name:	N-[ethoxy(oxo)acetyl]-beta-D-glucopyranosylamine
Formula:	C10 H17 N O8
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OCC
InChi:	InChI=1S/C10H17NO8/c1-2-18-10(17)8(16)11-9-7(15)6(14)5(13)4(3-12)19-9/h4-7,9,12-15H,2-3H2,1H3,(H,11,16)/t4-,5-,6+,7-,9-/m1/s1
Synonyms:	ETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE
Definition date:	2006-01-25
Last modified:	2020-07-17
Identifier:	N-[ethoxy(oxo)acetyl]-beta-D-glucopyranosylamine

7JZ

7JZ
Name:	2-deoxy-2,2-difluoro-beta-D-lyxo-hexopyranose
Formula:	C6 H10 F2 O5
SMILES:	FC1(F)C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C6H10F2O5/c7-6(8)4(11)3(10)2(1-9)13-5(6)12/h2-5,9-12H,1H2/t2-,3+,4+,5-/m1/s1
Synonyms:	2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSYL-ENZYME INTERMEDIATE
Definition date:	2009-05-19
Last modified:	2020-07-17
Identifier:	2-deoxy-2,2-difluoro-beta-D-lyxo-hexopyranose

7K2

7K2
Name:	[(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-D-mannopyranoside
Formula:	C12 H23 N O7 S
SMILES:	OC[CH]1O[CH](SC[CH]2CNC[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H23NO7S/c14-3-7-9(17)10(18)11(19)12(20-7)21-4-5-1-13-2-6(15)8(5)16/h5-19H,1-4H2/t5-,6-,7-,8-,9-,10+,11+,12-/m1/s1
Synonyms:	(2~{R},3~{S},4~{S},5~{S},6~{R})-2-[[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methylsulfanyl]-6-(hydroxymethy l)oxane-3,4,5-triol
Definition date:	2016-11-03
Last modified:	2020-07-17
Release date:	2017-08-09
Identifier:	(2~{R},3~{S},4~{S},5~{S},6~{R})-2-[[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methylsulfanyl]-6-(hydroxymethy l)oxane-3,4,5-triol

7K3

7K3
Name:	1-thio-alpha-D-mannopyranose
Formula:	C6 H12 O5 S
SMILES:	OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5+,6-/m1/s1
Synonyms:	(2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
Definition date:	2016-11-03
Last modified:	2020-07-17
Release date:	2017-08-09
Identifier:	(2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol

61J

61J
Name:	(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
Formula:	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
Definition date:	2016-01-13
Last modified:	2020-07-17
Release date:	2016-03-02
Identifier:	(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol

62I

62I
Name:	(6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol
Formula:	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
Definition date:	2015-05-21
Last modified:	2020-07-17
Release date:	2015-08-26
Identifier:	(6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol

66O

66O
Name:	alpha-L-6-dexoy-gulopyranose
Formula:	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
Synonyms:	alpha-L-6-dexoy-gulose
Definition date:	2016-02-04
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-deoxy-alpha-L-gulopyranose

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

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

9NW

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

9OK

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

9PG

9PG
Name:	4-nitrophenyl alpha-D-galactopyranoside
Formula:	C12 H15 N O8
SMILES:	C(C1OC(C(C(C1O)O)O)Oc2ccc([N+]([O-])=O)cc2)O
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-galactoside
Definition date:	2015-05-22
Last modified:	2020-07-17
Release date:	2015-07-29
Identifier:	4-nitrophenyl alpha-D-galactopyranoside

9QG

9QG
Name:	methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside
Formula:	C10 H18 O8
SMILES:	O(C)C1OC(CO)C(C(C1O)OC(C(O)=O)C)O
InChi:	InChI=1S/C10H18O8/c1-4(9(14)15)17-8-6(12)5(3-11)18-10(16-2)7(8)13/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t4-,5-,6+,7-,8+,10-/m1/s1
Synonyms:	methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactoside
Definition date:	2017-05-25
Last modified:	2020-07-17
Release date:	2018-05-23
Identifier:	methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside

9QZ

9QZ
Name:	[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy ]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate
Formula:	C12 H22 O26 S5
SMILES:	OC[CH]1O[CH](OC[CH]2O[CH](O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]2O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O
InChi:	InChI=1S/C12H22O26S5/c13-1-3-6(34-39(16,17)18)8(36-41(22,23)24)10(38-43(28,29)30)12(33-3)31-2-4-5(14)7(35-40(19,20)21)9(11(15)32-4)37-42(25,26)27/h3-15H,1-2H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)/t3-,4+,5+,6-,7-,8-,9+,10+,11-,12-/m1/s1
Definition date:	2017-06-30
Last modified:	2020-07-17
Release date:	2017-09-20
Identifier:	[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate

9S7

9S7
Name:	5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Formula:	C11 H18 F N O7
SMILES:	O=C(O)C1C(F)C(C(C(O1)C(O)CCO)NC(=O)C)O
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-7-8(17)6(12)10(11(18)19)20-9(7)5(16)2-3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8+,9+,10+/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Definition date:	2017-06-07
Last modified:	2020-07-17
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid

9SG

9SG
Name:	(2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Formula:	C11 H17 F2 N O7
SMILES:	O=C(C)NC1C(C(C(CO)O)O)OC(C(C1)F)(F)C(=O)O
InChi:	InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	(2~{R},3~{R},5~{R},6~{R})-5-acetamido-2,3-bis(fluoranyl)-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Definition date:	2017-06-07
Last modified:	2020-07-17
Release date:	2018-02-21
Identifier:	(2R,3R,5R,6R)-5-(acetylamino)-2,3-difluoro-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

9SJ

9SJ
Name:	5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Formula:	C11 H18 F N O7
SMILES:	O=C(C)NC1C(O)C(F)C(OC1CC(CO)O)C(=O)O
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7+,8-,9-,10-/m0/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Definition date:	2017-06-07
Last modified:	2020-07-17
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid

9SM

9SM
Name:	(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
Formula:	C11 H17 F2 N O7
SMILES:	OC(C1(OC(CC(CO)O)C(C(C1F)O)NC(=O)C)F)=O
InChi:	InChI=1S/C11H17F2NO7/c1-4(16)14-7-6(2-5(17)3-15)21-11(13,10(19)20)9(12)8(7)18/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9+,11+/m0/s1
Synonyms:	(2~{R},3~{R},4~{R},5~{R},6~{S})-5-acetamido-6-[(2~{S})-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c arboxylic acid
Definition date:	2017-06-07
Last modified:	2020-07-17
Release date:	2018-02-21
Identifier:	(2R,3R,4R,5R,6S)-5-(acetylamino)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

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223166

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