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XLS

XLS
Name:	D-xylose
Formula:	C5 H10 O5
SMILES:	O=CC(O)C(O)C(O)CO
InChi:	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
Synonyms:	D-XYLOSE (LINEAR FORM)
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	D-xylose

ZB0

ZB0
Name:	2,3-di-O-methyl-alpha-D-glucopyranose
Formula:	C8 H16 O6
SMILES:	O(C)C1C(OC)C(O)C(OC1O)CO
InChi:	InChI=1S/C8H16O6/c1-12-6-5(10)4(3-9)14-8(11)7(6)13-2/h4-11H,3H2,1-2H3/t4-,5-,6+,7-,8+/m1/s1
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2,3-di-O-methyl-alpha-D-glucopyranose

ZB1

ZB1
Name:	3-O-methyl-alpha-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
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-01
Identifier:	3-O-methyl-alpha-D-glucopyranose

ZB2

ZB2
Name:	2-O-methyl-alpha-D-glucopyranose
Formula:	C7 H14 O6
SMILES:	O(C)C1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C7H14O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2-O-methyl-alpha-D-glucopyranose

ZB3

ZB3
Name:	2,6-di-O-methyl-alpha-D-glucopyranose
Formula:	C8 H16 O6
SMILES:	O(C)C1C(O)C(O)C(OC1O)COC
InChi:	InChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6+,7-,8+/m1/s1
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2,6-di-O-methyl-alpha-D-glucopyranose

SQ4

SQ4
Name:	1-(4-aminophenyl)pyrrole-2,5-dione
Formula:	C10 H8 N2 O2
SMILES:	Nc1ccc(cc1)N2C(=O)C=CC2=O
InChi:	InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	1-(4-aminophenyl)pyrrole-2,5-dione

3DO

3DO
Name:	3-deoxy-beta-D-glucopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(OC(O)C(O)C1)CO
InChi:	InChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
Synonyms:	3-deoxy-beta-D-ribo-hexopyranose
Definition date:	2013-11-26
Last modified:	2020-07-17
Release date:	2015-03-25
Identifier:	3-deoxy-beta-D-ribo-hexopyranose

SQ7

SQ7
Name:	3-(4-chlorophenyl)imidazole-2,4-dione
Formula:	C9 H5 Cl N2 O2
SMILES:	Clc1ccc(cc1)N2C(=O)C=NC2=O
InChi:	InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-(4-chlorophenyl)imidazole-2,4-dione

RWI

RWI
Name:	(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid
Formula:	C11 H18 N2 O11
SMILES:	O=C(NC1C(O)C(O)C(CO)OC1OC(C(=O)O)CC(O)=O)NO
InChi:	InChI=1S/C11H18N2O11/c14-2-4-7(17)8(18)6(12-11(21)13-22)10(24-4)23-3(9(19)20)1-5(15)16/h3-4,6-8,10,14,17-18,22H,1-2H2,(H,15,16)(H,19,20)(H2,12,13,21)/t3-,4+,6+,7+,8+,10-/m0/s1
Synonyms:	(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucosyl}oxy)butanedioic acid
Definition date:	2019-10-09
Last modified:	2020-07-17
Release date:	2020-01-08
Identifier:	(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid

NG1

NG1
Name:	2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
Formula:	C8 H16 N O9 P
SMILES:	O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O
InChi:	InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE
Definition date:	2005-06-27
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-galactopyranose

YDR

YDR
Name:	6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose
Formula:	C12 H22 O10 S
SMILES:	S(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O10S/c13-1-3-5(14)8(17)10(19)12(22-3)23-2-4-6(15)7(16)9(18)11(20)21-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1
Definition date:	2011-02-24
Last modified:	2020-07-17
Identifier:	6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose

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

SQG

SQG
Name:	2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
Formula:	C10 H7 F3 N2 O2
SMILES:	FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1
InChi:	InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide

NG6

NG6
Name:	2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose
Formula:	C8 H15 N O9 S
SMILES:	O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:	InChI=1S/C8H15NO9S/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)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	N-ACETYL-D-GALACTOSAMINE 6-SULFATE
Definition date:	2000-12-12
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-galactopyranose

ZCD

ZCD
Name:	alpha-D-idopyranose
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+/m1/s1
Synonyms:	alpha-D-idose
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-D-idopyranose

NGC

NGC
Name:	N-glycolyl-alpha-neuraminic acid
Formula:	C11 H19 N O10
SMILES:	O=C(O)C1(O)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO
InChi:	InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11+/m0/s1
Synonyms:	N-glycolylneuraminic acid
Definition date:	2008-07-25
Last modified:	2020-07-17
Identifier:	3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

SQP

SQP
Name:	2-(4-aminophenyl)benzoic acid
Formula:	C13 H11 N O2
SMILES:	Nc1ccc(cc1)c2ccccc2C(O)=O
InChi:	InChI=1S/C13H11NO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,14H2,(H,15,16)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-(4-aminophenyl)benzoic acid

NGE

NGE
Name:	N-glycolyl-beta-neuraminic acid
Formula:	C11 H19 N O10
SMILES:	O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CO)C(O)C1
InChi:	InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
Synonyms:	N-glycolylneuraminic acid
Definition date:	2009-11-05
Last modified:	2020-07-17
Identifier:	3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid

XMM

XMM
Name:	5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside
Formula:	C14 H15 Br Cl N O6
SMILES:	Brc3ccc2c(c(OC1OC(C(O)C(O)C1O)CO)cn2)c3Cl
InChi:	InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13+,14+/m1/s1
Synonyms:	(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-1H-INDOL-3-YLOXY)-TETRAHYDRO-6-(HYDROXYMETHYL)-2H-PYRAN-3,4,5-TRIOL
Definition date:	2005-04-26
Last modified:	2020-07-17
Identifier:	5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside

UDC

UDC
Name:	2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
Formula:	C13 H23 N O10
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)(C)C(O)CO
InChi:	InChI=1S/C13H23NO10/c1-5(17)14-8-10(9(19)6(3-15)23-11(8)20)24-13(2,12(21)22)7(18)4-16/h6-11,15-16,18-20H,3-4H2,1-2H3,(H,14,17)(H,21,22)/t6-,7+,8-,9-,10-,11+,13+/m1/s1
Synonyms:	2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
Definition date:	2007-05-31
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose

TYV

TYV
Name:	alpha-D-Tyvelopyranose
Formula:	C6 H12 O4
SMILES:	OC1C(OC(O)C(O)C1)C
InChi:	InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5+,6+/m1/s1
Synonyms:	alpha-D-Tyvelose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	3,6-dideoxy-alpha-D-arabino-hexopyranose

SQV

SQV
Name:	methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate
Formula:	C10 H13 N O3
SMILES:	COC(=O)[CH](C)c1cc(OC)ccn1
InChi:	InChI=1S/C10H13NO3/c1-7(10(12)14-3)9-6-8(13-2)4-5-11-9/h4-7H,1-3H3/t7-/m0/s1
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate

NGK

NGK
Name:	2-acetamido-2-deoxy-4-O-sulfo-alpha-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-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-ALPHA-D-GALACTOPYRANOSE
Definition date:	2003-04-15
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranose

ZCZ

ZCZ
Name:	4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose
Formula:	C11 H21 N O7
SMILES:	O=C(NC1C(OC(O)C(OC)C1O)C)C(O)CCO
InChi:	InChI=1S/C11H21NO7/c1-5-7(12-10(16)6(14)3-4-13)8(15)9(18-2)11(17)19-5/h5-9,11,13-15,17H,3-4H2,1-2H3,(H,12,16)/t5-,6-,7-,8+,9+,11+/m1/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose

ZD0

ZD0
Name:	methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside
Formula:	C11 H21 N O7
SMILES:	O=C(NC1C(OC(OC)C(O)C1O)C)C(O)CCO
InChi:	InChI=1S/C11H21NO7/c1-5-7(12-10(17)6(14)3-4-13)8(15)9(16)11(18-2)19-5/h5-9,11,13-16H,3-4H2,1-2H3,(H,12,17)/t5-,6-,7-,8+,9+,11+/m1/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside

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