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NL5

NL5
Name:	4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole
Formula:	C14 H19 N3 O3 S
SMILES:	CC(C)OCc1[nH]nnc1CC[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C14H19N3O3S/c1-11(2)20-10-14-13(15-17-16-14)8-9-21(18,19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,16,17)
Definition date:	2019-12-04
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole

NLC

NLC
Name:	2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE
Formula:	C14 H25 N O11
SMILES:	O=C(NC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO)C
InChi:	InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+/m1/s1
Definition date:	2004-07-15
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose

NM9

NM9
Name:	methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside
Formula:	C12 H22 N2 O7
SMILES:	O=C(N)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
InChi:	InChI=1S/C12H22N2O7/c1-5(11(13)18)20-10-8(14-6(2)16)12(19-3)21-7(4-15)9(10)17/h5,7-10,12,15,17H,4H2,1-3H3,(H2,13,18)(H,14,16)/t5-,7-,8-,9-,10-,12-/m1/s1
Synonyms:	(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]oxypropanamide
Definition date:	2013-11-19
Last modified:	2020-07-17
Release date:	2014-07-23
Identifier:	methyl 2-(acetylamino)-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside

89Y

89Y
Name:	(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one
Formula:	C5 H8 O5
SMILES:	OC1C(=O)OCC1(O)CO
InChi:	InChI=1S/C5H8O5/c6-1-5(9)2-10-4(8)3(5)7/h3,6-7,9H,1-2H2/t3-,5+/m0/s1
Definition date:	2017-01-13
Last modified:	2020-07-17
Release date:	2017-02-01
Identifier:	(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one

0HX

0HX
Name:	pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Formula:	C13 H21 N O6
SMILES:	CCC(CC)O[CH]1OC(=C[CH](O)[CH]1NC(C)=O)C(O)=O
InChi:	InChI=1S/C13H21NO6/c1-4-8(5-2)19-13-11(14-7(3)15)9(16)6-10(20-13)12(17)18/h6,8-9,11,13,16H,4-5H2,1-3H3,(H,14,15)(H,17,18)/t9-,11+,13+/m0/s1
Synonyms:	pentan-3-yl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Definition date:	2012-01-19
Last modified:	2020-07-17
Release date:	2013-02-08
Identifier:	(2~{R},3~{R},4~{S})-3-acetamido-4-oxidanyl-2-pentan-3-yloxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

QMZ

QMZ
Name:	[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Formula:	C20 H23 N5 O4
SMILES:	COc1cc(cc(OC)c1OC)C(=O)N2CCC[CH](C2)c3ccnc4ncnn34
InChi:	InChI=1S/C20H23N5O4/c1-27-16-9-14(10-17(28-2)18(16)29-3)19(26)24-8-4-5-13(11-24)15-6-7-21-20-22-12-23-25(15)20/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3/t13-/m0/s1
Definition date:	2020-07-06
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

0MK

0MK
Name:	beta-L-ribopyranose
Formula:	C5 H10 O5
SMILES:	C1(O)C(O)C(O)C(CO1)O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m0/s1
Synonyms:	beta-L-ribose
Definition date:	2012-03-01
Last modified:	2020-07-17
Release date:	2013-03-20
Identifier:	beta-L-ribopyranose

QPS

QPS
Name:	BETA-ACARBOSE
Formula:	C25 H43 N O18
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO
InChi:	InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
Synonyms:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4) -alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Definition date:	2008-06-03
Last modified:	2020-07-17
Identifier:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

0NZ

0NZ
Name:	2-deoxy-6-O-phosphono-beta-D-glucopyranose
Formula:	C6 H13 O8 P
SMILES:	O=P(O)(O)OCC1OC(O)CC(O)C1O
InChi:	InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6+/m1/s1
Synonyms:	2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose
Definition date:	2012-08-17
Last modified:	2020-07-17
Release date:	2013-06-12
Identifier:	2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose

0TS

0TS
Name:	beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyrano syl-(1->4)-1-thio-beta-D-glucopyranose
Formula:	C30 H52 O23 S3
SMILES:	S(C2C(OC(OC1C(O)C(O)C(S)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(SC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO
InChi:	InChI=1S/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+/m1/s1
Synonyms:	hemithiocellodextrin
Definition date:	2012-06-08
Last modified:	2020-07-17
Identifier:	beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranose

QW7

QW7
Name:	1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole
Formula:	C27 H27 Cl2 N3 O
SMILES:	CC(c1c(ccc(c1Cl)OC)Cl)n5cnc4ccc(c3c(C2NCCCC2)cccc3)cc45
InChi:	InChI=1S/C27H27Cl2N3O/c1-17(26-21(28)11-13-25(33-2)27(26)29)32-16-31-23-12-10-18(15-24(23)32)19-7-3-4-8-20(19)22-9-5-6-14-30-22/h3-4,7-8,10-13,15-17,22,30H,5-6,9,14H2,1-2H3/t17-,22-/m1/s1
Definition date:	2020-01-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole

0UB

0UB
Name:	beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose
Formula:	C18 H32 O16
SMILES:	O3C(COC1(OC(C(O)C1O)COC2(OC(CO)C(O)C2O)CO)CO)C(O)C(O)C3(O)CO
InChi:	InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1
Synonyms:	Levantriose
Definition date:	2012-06-15
Last modified:	2020-07-17
Identifier:	beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose

KFN

KFN
Name:	2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid
Formula:	C9 H14 O8
SMILES:	OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1
Synonyms:	(4S,5R,6R)-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
Definition date:	2010-11-26
Last modified:	2020-07-17
Identifier:	(4S,5R,6R)-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid

KG1

KG1
Name:	propadienyl 6-deoxy-alpha-L-galactopyranoside
Formula:	C9 H14 O5
SMILES:	C[CH]1O[CH](O[CH]=[C]=[CH2])[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H14O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h4-12H,1H2,2H3/t5-,6+,7+,8-,9+/m0/s1
Synonyms:	propargyl-fucoside
Definition date:	2017-12-04
Last modified:	2020-07-17
Release date:	2018-01-31
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-propa-1,2-dienoxy-oxane-3,4,5-triol

KGM

KGM
Name:	heptyl alpha-D-mannopyranoside
Formula:	C13 H26 O6
SMILES:	O(CCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1
Synonyms:	Heptyl Alpha-D-mannopyrannoside
Definition date:	2013-06-23
Last modified:	2020-07-17
Release date:	2014-02-12
Identifier:	heptyl alpha-D-mannopyranoside

KHP

KHP
Name:	4-nitrophenyl alpha-L-arabinofuranoside
Formula:	C11 H13 N O7
SMILES:	[O-][N+](=O)c2ccc(OC1OC(C(O)C1O)CO)cc2
InChi:	InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1
Synonyms:	2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-TETRAHYDRO-FURAN-3,4-DIOL
Definition date:	2003-09-12
Last modified:	2020-07-17
Identifier:	4-nitrophenyl alpha-L-arabinofuranoside

2WP

2WP
Name:	S-ribosylhomocysteine
Formula:	C9 H17 N O6 S
SMILES:	O=C(O)C(N)CCSCC1OC(O)C(O)C1O
InChi:	InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9-/m0/s1
Synonyms:	(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid
Definition date:	2014-03-13
Last modified:	2020-07-17
Release date:	2014-03-26
Identifier:	(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

2WS

2WS
Name:	beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose
Formula:	C15 H26 O13
SMILES:	O(C1COC(O)C(O)C1O)C3OCC(OC2OCC(O)C(O)C2O)C(O)C3O
InChi:	InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1
Definition date:	2014-03-19
Last modified:	2020-07-17
Release date:	2014-05-07
Identifier:	beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose

KOT

KOT
Name:	1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
Formula:	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
Synonyms:	1-beta-D-glucosyl-4-phenyl-1H-1,2,3-triazole
Definition date:	2009-02-05
Last modified:	2020-07-17
Identifier:	1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole

32O

32O
Name:	beta-L-ribofuranose
Formula:	C5 H10 O5
SMILES:	OC1C(OC(O)C1O)CO
InChi:	InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m0/s1
Synonyms:	beta-L-ribose
Definition date:	2014-05-29
Last modified:	2020-07-17
Release date:	2014-09-03
Identifier:	beta-L-ribofuranose

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

R1P

R1P
Name:	1-O-phosphono-alpha-D-ribofuranose
Formula:	C5 H11 O8 P
SMILES:	O=P(OC1OC(C(O)C1O)CO)(O)O
InChi:	InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
Synonyms:	RIBOSE-1-PHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1-O-phosphono-alpha-D-ribofuranose

R1X

R1X
Name:	1,4-anhydro-D-ribitol
Formula:	C5 H10 O4
SMILES:	OCC1OCC(O)C1O
InChi:	InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5-/m0/s1
Synonyms:	1-deoxyribose
Definition date:	2008-10-03
Last modified:	2020-07-17
Identifier:	1,4-anhydro-D-ribitol

R2B

R2B
Name:	1,4-anhydro-D-erythro-pent-1-enitol
Formula:	C5 H8 O4
SMILES:	OC1=COC(CO)C1O
InChi:	InChI=1S/C5H8O4/c6-1-4-5(8)3(7)2-9-4/h2,4-8H,1H2/t4-,5+/m1/s1
Definition date:	2005-05-11
Last modified:	2020-07-17
Identifier:	1,4-anhydro-D-erythro-pent-1-enitol

R2G

R2G
Name:	2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol
Formula:	C5 H8 O3
SMILES:	OC[CH]1OC=C[CH]1O
InChi:	InChI=1S/C5H8O3/c6-3-5-4(7)1-2-8-5/h1-2,4-7H,3H2/t4-,5+/m1/s1
Definition date:	2009-12-09
Last modified:	2020-07-17
Identifier:	(2~{S},3~{R})-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol

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