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149

149
Name:	D-galactonolactone
Formula:	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
Synonyms:	(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
Definition date:	2001-10-02
Last modified:	2020-07-17
Identifier:	(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)

KXE

KXE
Name:	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
Formula:	C20 H17 Cl2 N3 O3
SMILES:	OC(=O)CCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C20H17Cl2N3O3/c21-16-7-6-14(10-17(16)22)19-15(12-25(24-19)9-8-18(26)27)20(28)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,23,28)(H,26,27)
Definition date:	2019-07-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid

KXH

KXH
Name:	ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
Formula:	C16 H19 Cl2 N3 O2
SMILES:	CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2
InChi:	InChI=1S/C16H19Cl2N3O2/c1-2-23-16(22)12-10-21(8-4-3-7-19)20-15(12)11-5-6-13(17)14(18)9-11/h5-6,9-10H,2-4,7-8,19H2,1H3
Definition date:	2019-07-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate

14T

14T
Name:	3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside
Formula:	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
Synonyms:	3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucoside
Definition date:	2009-12-08
Last modified:	2020-07-17
Identifier:	3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside

KYK

KYK
Name:	N6-benzyl-(alpha,beta)-methylene-ADP
Formula:	C18 H23 N5 O9 P2
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)ncnc23
InChi:	InChI=1S/C18H23N5O9P2/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1
Definition date:	2019-07-05
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

15L

15L
Name:	D-galactaro-1,5-lactone
Formula:	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
Synonyms:	galactaro-1,5-lactone
Definition date:	2011-04-11
Last modified:	2020-07-17
Identifier:	(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

KYW

KYW
Name:	(N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP
Formula:	C19 H24 Cl N5 O9 P2
SMILES:	CN(Cc1ccccc1)c2nc(Cl)nc3n(cnc23)[CH]4O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]4O
InChi:	InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1
Definition date:	2019-07-05
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[methyl-(phenylmethyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

16F

16F
Name:	N-({(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Formula:	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
Synonyms:	3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Definition date:	2010-04-30
Last modified:	2020-07-17
Identifier:	N-{[(2Z)-2-(3-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

16G

16G
Name:	2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
Formula:	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
Synonyms:	N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE
Definition date:	2000-09-13
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose

16O

16O
Name:	N-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Formula:	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
Synonyms:	4-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Definition date:	2010-05-03
Last modified:	2020-07-17
Identifier:	N-{[(2E)-2-(4-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

GTK

GTK
Name:	beta-D-galactofuranuronic acid
Formula:	C6 H10 O7
SMILES:	O=C(O)C(O)C1OC(O)C(O)C1O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m1/s1
Synonyms:	beta-D-galacturonic acid
Definition date:	2011-08-15
Last modified:	2020-07-17
Identifier:	beta-D-galactofuranuronic acid

GTM

GTM
Name:	methyl 4-thio-beta-D-glucopyranoside
Formula:	C7 H14 O5 S
SMILES:	OC1C(O)C(S)C(OC1OC)CO
InChi:	InChI=1S/C7H14O5S/c1-11-7-5(10)4(9)6(13)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5-,6-,7-/m1/s1
Synonyms:	O1-METHYL-4-DEOXY-4-THIO-BETA-D-GLUCOSE
Definition date:	2003-02-07
Last modified:	2020-07-17
Identifier:	methyl 4-thio-beta-D-glucopyranoside

GTR

GTR
Name:	beta-D-galactopyranuronic acid
Formula:	C6 H10 O7
SMILES:	C1(C(C(C(C(C(=O)O)O1)O)O)O)O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
Synonyms:	beta-D-galacturonic acid
Definition date:	2001-11-15
Last modified:	2020-07-17
Identifier:	beta-D-galactopyranuronic acid

GU0

GU0
Name:	2,3,6-tri-O-sulfonato-beta-D-glucopyranose
Formula:	C6 H9 O15 S3
SMILES:	[O-]S(=O)(=O)OCC1OC(O)C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1O
InChi:	InChI=1S/C6H12O15S3/c7-3-2(1-18-22(9,10)11)19-6(8)5(21-24(15,16)17)4(3)20-23(12,13)14/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/p-3/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	2,3,6-tri-O-sulfonato-beta-D-glucose
Definition date:	2004-06-22
Last modified:	2020-07-17
Identifier:	2,3,6-tri-O-sulfonato-beta-D-glucopyranose

GU1

GU1
Name:	2,3-di-O-methyl-beta-D-glucopyranuronic acid
Formula:	C8 H14 O7
SMILES:	O=C(O)C1OC(O)C(OC)C(OC)C1O
InChi:	InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3-,4-,5-,6+,8+/m0/s1
Synonyms:	2,3-di-O-methyl-beta-D-glucuronic acid
Definition date:	2004-06-22
Last modified:	2020-07-17
Identifier:	2,3-di-O-methyl-beta-D-glucopyranuronic acid

GU2

GU2
Name:	2,3-di-O-methyl-alpha-L-idopyranuronic acid
Formula:	C8 H14 O7
SMILES:	O=C(O)C1OC(O)C(OC)C(OC)C1O
InChi:	InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3?,4-,5+,6+,8+/m0/s1
Synonyms:	2,3-di-O-methyl-alpha-L-iduronic acid
Definition date:	2004-06-22
Last modified:	2020-07-17
Identifier:	2,3-di-O-methyl-alpha-L-idopyranuronic acid

GU3

GU3
Name:	methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside
Formula:	C8 H16 O12 S2
SMILES:	O=S(=O)(O)OCC1OC(OC)C(OS(=O)(=O)O)C(OC)C1O
InChi:	InChI=1S/C8H16O12S2/c1-16-6-5(9)4(3-18-21(10,11)12)19-8(17-2)7(6)20-22(13,14)15/h4-9H,3H2,1-2H3,(H,10,11,12)(H,13,14,15)/t4-,5-,6+,7-,8+/m1/s1
Synonyms:	methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucoside
Definition date:	2004-06-22
Last modified:	2020-07-17
Identifier:	methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside

GU4

GU4
Name:	2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose
Formula:	C6 H12 O18 S4
SMILES:	OC1OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(O)=O)C1OS(=O)(=O)O
InChi:	InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	2,3,4,6-tetra-O-sulfonato-alpha-D-glucose
Definition date:	2004-06-22
Last modified:	2020-07-17
Identifier:	2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose

GU5

GU5
Name:	2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose
Formula:	C8 H15 O9 S
SMILES:	[O-]S(=O)(=O)OCC1OC(O)C(OC)C(OC)C1O
InChi:	InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/p-1/t4-,5?,6+,7-,8+/m1/s1
Synonyms:	2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucose
Definition date:	2004-06-22
Last modified:	2020-07-17
Identifier:	2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose

GU6

GU6
Name:	2,3,6-tri-O-sulfo-alpha-D-glucopyranose
Formula:	C6 H12 O15 S3
SMILES:	C1(C(C(OS(=O)(O)=O)C(O)C(COS(=O)(O)=O)O1)OS(O)(=O)=O)O
InChi:	InChI=1S/C6H12O15S3/c7-3-2(1-18-22(9,10)11)19-6(8)5(21-24(15,16)17)4(3)20-23(12,13)14/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	2,3,6-TRI-O-SULFONATO-ALPHA-D-GLUCOPYRANOSE
Definition date:	2004-06-22
Last modified:	2020-07-17
Identifier:	2,3,6-tri-O-sulfo-alpha-D-glucopyranose

GU8

GU8
Name:	2,3,6-tri-O-methyl-beta-D-glucopyranose
Formula:	C9 H18 O6
SMILES:	O(C)C1C(OC)C(O)C(OC1O)COC
InChi:	InChI=1S/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6?,7+,8-,9-/m1/s1
Synonyms:	2,3,6-tri-O-methyl-beta-D-glucose
Definition date:	2004-06-22
Last modified:	2020-07-17
Identifier:	2,3,6-tri-O-methyl-beta-D-glucopyranose

GU9

GU9
Name:	2,3,6-tri-O-methyl-alpha-D-glucopyranose
Formula:	C9 H18 O6
SMILES:	O(C)C1C(OC)C(O)C(OC1O)COC
InChi:	InChI=1S/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6?,7+,8-,9+/m1/s1
Synonyms:	2,3,6-tri-O-methyl-alpha-D-glucose
Definition date:	2004-06-22
Last modified:	2020-07-17
Identifier:	2,3,6-tri-O-methyl-alpha-D-glucopyranose

17T

17T
Name:	N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Formula:	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
Synonyms:	N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine
Definition date:	2010-05-03
Last modified:	2020-07-17
Identifier:	N-{[(2E)-2-(4-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

GUF

GUF
Name:	2-deoxy-2-fluoro-beta-D-glucopyranuronic acid
Formula:	C6 H9 F O6
SMILES:	FC1C(O)C(O)C(OC1O)C(=O)O
InChi:	InChI=1S/C6H9FO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1
Synonyms:	2-deoxy-2-fluoro-beta-glucuronide
Definition date:	2012-02-02
Last modified:	2020-07-17
Identifier:	2-deoxy-2-fluoro-beta-D-glucopyranuronic acid

GUL

GUL
Name:	(2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C6 H10 F2 O5
SMILES:	FC1OC(F)(C(O)C(O)C1O)CO
InChi:	InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3+,4+,5?,6+/m1/s1
Synonyms:	5-FLUORO-BETA-L-GULOSYL FLUORIDE
Definition date:	2003-09-03
Last modified:	2020-07-17
Identifier:	(2R,3S,4R,5S,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)

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