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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

PNW

PNW
Name:	4-nitrophenyl beta-D-glucopyranoside
Formula:	C12 H15 N O8
SMILES:	[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
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-BETA-D-GLUCOPYRANOSIDE
Definition date:	2010-05-25
Last modified:	2020-07-17
Identifier:	4-nitrophenyl beta-D-glucopyranoside

U63

U63
Name:	2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
Formula:	C12 H21 F O10
SMILES:	FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO
InChi:	InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11-,12+/m1/s1
Definition date:	2014-10-06
Last modified:	2020-07-17
Release date:	2015-01-14
Identifier:	2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose

SID

SID
Name:	methyl 9-S-acetyl-5-acetamido-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:	C14 H23 N O9 S
SMILES:	O=C(SCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=O)C)C
InChi:	InChI=1S/C14H23NO9S/c1-6(16)15-10-8(18)4-14(23-3,13(21)22)24-12(10)11(20)9(19)5-25-7(2)17/h8-12,18-20H,4-5H2,1-3H3,(H,15,16)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
Synonyms:	methyl 9-S-acetyl-5-(acetylamino)-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Definition date:	2009-07-24
Last modified:	2020-07-17
Identifier:	methyl 9-S-acetyl-5-(acetylamino)-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

X0X

X0X
Name:	beta-D-talopyranuronic acid
Formula:	C6 H10 O7
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1O
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-taluronic acid
Definition date:	2015-03-30
Last modified:	2020-07-17
Release date:	2015-12-23
Identifier:	beta-D-talopyranuronic acid

SIO

SIO
Name:	methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:	C16 H25 N O11
SMILES:	O=C(OCC(O)C(O)C1OC(OC)(C(=O)O)CC(OC(=O)C)C1NC(=O)C)C
InChi:	InChI=1S/C16H25NO11/c1-7(18)17-12-11(27-9(3)20)5-16(25-4,15(23)24)28-14(12)13(22)10(21)6-26-8(2)19/h10-14,21-22H,5-6H2,1-4H3,(H,17,18)(H,23,24)/t10-,11+,12-,13-,14-,16-/m1/s1
Synonyms:	methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Definition date:	2008-03-20
Last modified:	2020-07-17
Identifier:	methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

FX1

FX1
Name:	beta-D-threo-hexo-2,4-diulo-2,5-furanose
Formula:	C6 H10 O6
SMILES:	OC[CH]1O[C](O)(CO)[CH](O)C1=O
InChi:	InChI=1S/C6H10O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3,5,7-8,10-11H,1-2H2/t3-,5+,6-/m1/s1
Synonyms:	beta-D-threo-hexo-2,4-diulo-2,5-se
Definition date:	2010-01-11
Last modified:	2020-07-17
Identifier:	(2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one

XVR

XVR
Name:	(5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one
Formula:	C13 H20 O4
SMILES:	O=C(CCCCC1OC(C=C1)=O)C(CC)(C)O
InChi:	InChI=1S/C13H20O4/c1-3-13(2,16)11(14)7-5-4-6-10-8-9-12(15)17-10/h8-10,16H,3-7H2,1-2H3/t10-,13+/m0/s1
Definition date:	2020-04-29
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one

56N

56N
Name:	phenyl beta-D-galactopyranoside
Formula:	C12 H16 O6
SMILES:	OC1C(OC(C(O)C1O)CO)Oc2ccccc2
InChi:	InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1
Synonyms:	phenyl beta-D-galactoside
Definition date:	2015-08-05
Last modified:	2020-07-17
Release date:	2015-11-25
Identifier:	phenyl beta-D-galactopyranoside

FYJ

FYJ
Name:	phenyl 1-thio-beta-D-glucopyranosiduronic acid
Formula:	C12 H14 O6 S
SMILES:	C(C1OC(C(C(C1O)O)O)Sc2ccccc2)(=O)O
InChi:	InChI=1S/C12H14O6S/c13-7-8(14)10(11(16)17)18-12(9(7)15)19-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12-/m0/s1
Synonyms:	phenyl 1-thio-beta-D-glucosiduronic acid
Definition date:	2018-04-25
Last modified:	2020-07-17
Release date:	2018-10-17
Identifier:	phenyl 1-thio-beta-D-glucopyranosiduronic acid

X4S

X4S
Name:	beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyr anose
Formula:	C20 H34 O14 S3
SMILES:	S(C2COC(SC1C(O)C(O)C(O)OC1)C(O)C2O)C4OCC(SC3OCC(O)C(O)C3O)C(O)C4O
InChi:	InChI=1S/C20H34O14S3/c21-5-1-32-18(14(27)9(5)22)36-7-3-34-20(16(29)11(7)24)37-8-4-33-19(15(28)12(8)25)35-6-2-31-17(30)13(26)10(6)23/h5-30H,1-4H2/t5-,6-,7-,8-,9+,10+,11+,12+,13-,14-,15-,16-,17-,18+,19+,20+/m1/s1
Synonyms:	thio-linked xylotetraose
Definition date:	2008-06-18
Last modified:	2020-07-17
Identifier:	beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranose

57S

57S
Name:	4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol
Formula:	C13 H26 N O13 P
SMILES:	C1(C(NC(C)=O)C(C(C(O1)CO)O)O)OC(COP(O)(O)=O)C(O)C(CO)O
InChi:	InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)7(3-16)26-13(9)27-8(4-25-28(22,23)24)10(19)6(18)2-15/h6-13,15-16,18-21H,2-4H2,1H3,(H,14,17)(H2,22,23,24)/t6-,7+,8+,9+,10-,11+,12+,13-/m0/s1
Synonyms:	4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol
Definition date:	2015-08-12
Last modified:	2020-07-17
Release date:	2015-11-11
Identifier:	4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol

U8V

U8V
Name:	6-O-butanoyl-alpha-D-glucopyranose
Formula:	C10 H18 O7
SMILES:	OC1C(C(O)C(O)C(COC(=O)CCC)O1)O
InChi:	InChI=1S/C10H18O7/c1-2-3-6(11)16-4-5-7(12)8(13)9(14)10(15)17-5/h5,7-10,12-15H,2-4H2,1H3/t5-,7-,8+,9-,10+/m1/s1
Definition date:	2020-05-04
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-O-butanoyl-alpha-D-glucopyranose

XXM

XXM
Name:	3-C-(hydroxylmethyl)-alpha-D-erythrofuranose
Formula:	C5 H10 O5
SMILES:	OCC1(C(C(OC1)O)O)O
InChi:	InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1
Synonyms:	alpha-D-apiose
Definition date:	2016-02-24
Last modified:	2020-07-17
Release date:	2016-04-20
Identifier:	(2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol

U97

U97
Name:	2-O-sulfo-beta-L-galactopyranuronic acid
Formula:	C6 H10 O10 S
SMILES:	C1(C(C(=O)O)OC(O)C(C1O)OS(O)(=O)=O)O
InChi:	InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3+,4-,6-/m0/s1
Definition date:	2020-05-04
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2-O-sulfo-beta-L-galactopyranuronic acid

XXR

XXR
Name:	alpha-D-rhamnopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(OC(O)C1O)C
InChi:	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m1/s1
Synonyms:	alpha-D-rhamnose
Definition date:	2013-07-18
Last modified:	2020-07-17
Release date:	2014-02-19
Identifier:	6-deoxy-alpha-D-mannopyranose

U9A

U9A
Name:	[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid
Formula:	C5 H11 N O11 S2
SMILES:	C1(C(C(NS(O)(=O)=O)C(OC1OS(O)(=O)=O)O)O)O
InChi:	InChI=1S/C5H11NO11S2/c7-2-1(6-18(10,11)12)4(9)16-5(3(2)8)17-19(13,14)15/h1-9H,(H,10,11,12)(H,13,14,15)/t1-,2-,3-,4-,5-/m1/s1
Definition date:	2020-05-04
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid (non-preferred name)

U9D

U9D
Name:	4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose
Formula:	C9 H18 O5
SMILES:	C1C(OC(C(C1OC)OC)O)COC
InChi:	InChI=1S/C9H18O5/c1-11-5-6-4-7(12-2)8(13-3)9(10)14-6/h6-10H,4-5H2,1-3H3/t6-,7-,8+,9?/m0/s1
Definition date:	2020-05-05
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose

U9G

U9G
Name:	2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose
Formula:	C8 H16 O9 S
SMILES:	OC1C(OC(C(C1OC)OC)O)COS(O)(=O)=O
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)/t4-,5-,6+,7-,8+/m1/s1
Definition date:	2020-05-05
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose

XXX

XXX
Name:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
Formula:	C12 H26 N4 O6
SMILES:	O(C1C(O)C(O)C(N)CC1N)C2OC(C(O)C(O)C2N)CN
InChi:	InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
Synonyms:	(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA N-3,4-DIOL
Definition date:	2005-11-03
Last modified:	2020-07-17
Identifier:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside

U9J

U9J
Name:	(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol
Formula:	C8 H16 O7
SMILES:	OC1C(OC(C(C1OC)OC)O)C(O)O
InChi:	InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5+,6+,8+/m0/s1
Definition date:	2020-05-05
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name)

U9M

U9M
Name:	(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol
Formula:	C8 H16 O7
SMILES:	OC1C(OC(C(C1OC)OC)O)C(O)O
InChi:	InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5-,6+,8+/m0/s1
Definition date:	2020-05-05
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name)

X5S

X5S
Name:	beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyr anosyl-(1->4)-4-thio-beta-D-xylopyranose
Formula:	C25 H42 O17 S4
SMILES:	S(C2COC(SC1C(O)C(O)C(O)OC1)C(O)C2O)C5OCC(SC4OCC(SC3OCC(O)C(O)C3O)C(O)C4O)C(O)C5O
InChi:	InChI=1S/C25H42O17S4/c26-6-1-39-22(17(33)11(6)27)44-8-3-41-24(19(35)13(8)29)46-10-5-42-25(20(36)15(10)31)45-9-4-40-23(18(34)14(9)30)43-7-2-38-21(37)16(32)12(7)28/h6-37H,1-5H2/t6-,7-,8-,9-,10-,11+,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+/m1/s1
Synonyms:	thio-linked xylopentaose
Definition date:	2008-06-18
Last modified:	2020-07-17
Identifier:	beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranose

XYL

XYL
Name:	Xylitol
Formula:	C5 H12 O5
SMILES:	OC(CO)C(O)C(O)CO
InChi:	InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
Synonyms:	D-Xylitol
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	D-xylitol

XYT

XYT
Name:	Cellobiose-6-phosphate
Formula:	C12 H23 O14 P
SMILES:	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O
InChi:	InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
Definition date:	2017-07-25
Last modified:	2020-07-17
Release date:	2017-10-18
Identifier:	[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

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237992

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