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ASG

ASG
Name:	2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose
Formula:	C8 H15 N O9 S
SMILES:	O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO
InChi:	InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1
Synonyms:	2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-4-SULFATE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranose

ASO

ASO
Name:	1,5-anhydro-D-glucitol
Formula:	C6 H12 O5
SMILES:	OC1C(OCC(O)C1O)CO
InChi:	InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
Synonyms:	1,5-ANHYDROSORBITOL
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1,5-anhydro-D-glucitol

AXP

AXP
Name:	(1S)-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-DIDEXOY-D-GLYCERO-BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(1S)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol

AXR

AXR
Name:	methyl alpha-D-arabinofuranoside
Formula:	C6 H12 O5
SMILES:	OC1C(OC(OC)C1O)CO
InChi:	InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5+,6+/m1/s1
Synonyms:	1-O-methyl-alpha-D-arabinofuranoside
Definition date:	2009-06-03
Last modified:	2020-07-17
Identifier:	methyl alpha-D-arabinofuranoside

AY9

AY9
Name:	Ascopyrone M
Formula:	C6 H8 O4
SMILES:	O=C1C(O)=CC(OC1)CO
InChi:	InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1
Definition date:	2011-11-15
Last modified:	2020-07-17
Identifier:	(6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one

AZC

AZC
Name:	N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
Formula:	C9 H16 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C
InChi:	InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA
Definition date:	2001-09-21
Last modified:	2020-07-17
Identifier:	N-(acetylcarbamoyl)-beta-D-glucopyranosylamine

B0D

B0D
Name:	(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-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
Definition date:	2009-08-18
Last modified:	2020-07-17
Identifier:	(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)

B16

B16
Name:	1,6-di-O-phosphono-beta-D-glucopyranose
Formula:	C6 H14 O12 P2
SMILES:	O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O
InChi:	InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	1,6-di-O-phosphono-beta-D-glucose
Definition date:	2011-12-06
Last modified:	2020-07-17
Identifier:	1,6-di-O-phosphono-beta-D-glucopyranose

B1H

B1H
Name:	(1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol
Formula:	C14 H17 N4 O7
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(cc3)[N+](O)=O
InChi:	InChI=1S/C14H17N4O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-15-13(16-17-14)6-1-3-7(4-2-6)18(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,15,16,17)/q+1/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium
Definition date:	2017-09-05
Last modified:	2020-07-17
Release date:	2018-02-28
Identifier:	[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium

B1N

B1N
Name:	(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol
Formula:	C14 H17 N3 O6
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(O)cc3
InChi:	InChI=1S/C14H17N3O6/c18-5-8-9(20)10(21)11(22)12(23-8)14-15-13(16-17-14)6-1-3-7(19)4-2-6/h1-4,8-12,18-22H,5H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol
Definition date:	2017-09-05
Last modified:	2020-07-17
Release date:	2018-02-28
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol

B6D

B6D
Name:	2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose
Formula:	C10 H18 N2 O5
SMILES:	O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C
InChi:	InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1
Synonyms:	2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose
Definition date:	2008-05-01
Last modified:	2020-07-17
Identifier:	2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose

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

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

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

JHM

JHM
Name:	2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Formula:	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
Synonyms:	2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose
Definition date:	2010-09-27
Last modified:	2020-07-17
Identifier:	2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose

JLT

JLT
Name:	3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol
Formula:	C8 H18 O10 P2
SMILES:	O[CH]1[CH](O)[CH](CC[P](O)(O)=O)O[CH](C[P](O)(O)=O)[CH]1O
InChi:	InChI=1S/C8H18O10P2/c9-6-4(1-2-19(12,13)14)18-5(3-20(15,16)17)7(10)8(6)11/h4-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)/t4-,5+,6-,7+,8+/m0/s1
Synonyms:	[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid
Definition date:	2019-03-11
Last modified:	2020-07-17
Release date:	2020-04-01
Identifier:	[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid

JS2

JS2
Name:	5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribofuranose
Formula:	C14 H23 N5 O12 P2
SMILES:	O=C3NC=Nc1c3nc(N)n1CCCCOP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O
InChi:	InChI=1S/C14H23N5O12P2/c15-14-18-8-11(16-6-17-12(8)22)19(14)3-1-2-4-28-32(24,25)31-33(26,27)29-5-7-9(20)10(21)13(23)30-7/h6-7,9-10,13,20-21,23H,1-5H2,(H2,15,18)(H,24,25)(H,26,27)(H,16,17,22)/t7-,9-,10-,13+/m1/s1
Synonyms:	5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribose
Definition date:	2014-06-18
Last modified:	2020-07-17
Release date:	2015-05-13
Identifier:	5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribofuranose

JV4

JV4
Name:	6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose
Formula:	C6 H12 F O8 P
SMILES:	C1(C(C(OC(C1O)CF)OP(O)(=O)O)O)O
InChi:	InChI=1S/C6H12FO8P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucose
Definition date:	2018-09-28
Last modified:	2020-07-17
Release date:	2019-07-31
Identifier:	6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose

JVA

JVA
Name:	2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol
Formula:	C7 H14 F O7 P
SMILES:	C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O
InChi:	InChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1
Definition date:	2018-10-01
Last modified:	2020-07-17
Release date:	2019-07-31
Identifier:	2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol

JVS

JVS
Name:	1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
Formula:	C7 H14 F O9 P
SMILES:	C1(C(C(CF)(OC(C1O)CO)OP(O)(=O)O)O)O
InChi:	InChI=1S/C7H14FO9P/c8-2-7(17-18(13,14)15)6(12)5(11)4(10)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6-,7-/m1/s1
Synonyms:	1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulose
Definition date:	2018-10-04
Last modified:	2020-07-17
Release date:	2019-07-31
Identifier:	1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose

JZR

JZR
Name:	hexyl beta-D-glucopyranoside
Formula:	C12 H24 O6
SMILES:	CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	hexyl beta-D-glucoside
Definition date:	2009-11-11
Last modified:	2020-07-17
Identifier:	(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol

POG

POG
Name:	(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL
Formula:	C21 H44 O8
SMILES:	O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C
InChi:	InChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1
Synonyms:	POLYPROPYLENE GLYCOL
Definition date:	2004-09-01
Last modified:	2020-05-27
Identifier:	(20R)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol

O9M

O9M
Name:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
Formula:	C18 H15 F N4 O3 S
SMILES:	c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)n3
InChi:	InChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24)
Definition date:	2019-06-19
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide

N67

N67
Name:	N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
Formula:	C11 H14 N4 O4 S2
SMILES:	N(Cc1sc(S(NC)(=O)=O)cc1)C(Nc2noc(c2)C)=O
InChi:	InChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16)
Definition date:	2019-05-03
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide

AH6

AH6
Name:	6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
Formula:	C13 H17 N O3
SMILES:	c2c1CN(CCc1cc(c2OC)OCC)C=O
InChi:	InChI=1S/C13H17NO3/c1-3-17-13-6-10-4-5-14(9-15)8-11(10)7-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3
Definition date:	2018-11-01
Last modified:	2019-10-18
Release date:	2019-10-23
Identifier:	6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

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