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MFU

MFU
Name:	methyl alpha-L-fucopyranoside
Formula:	C7 H14 O5
SMILES:	OC1C(O)C(O)C(OC1OC)C
InChi:	InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
Synonyms:	ALPHA-L-METHYL-FUCOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	methyl 6-deoxy-alpha-L-galactopyranoside

UM4

UM4
Name:	4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Formula:	C30 H28 F3 N7 O3
SMILES:	n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4)=O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7CC7)N
InChi:	InChI=1S/C30H28F3N7O3/c31-30(32,33)18-9-10-35-23(14-18)37-29(42)16-2-7-21(22(13-16)43-20-5-6-20)25-26-27(34)36-11-12-39(26)28(38-25)17-1-3-19-4-8-24(41)40(19)15-17/h2,7,9-14,17,19-20H,1,3-6,8,15H2,(H2,34,36)(H,35,37,42)/t17-,19+/m1/s1
Definition date:	2020-05-22
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

NNG

NNG
Name:	2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose
Formula:	C7 H17 N O10 P2
SMILES:	O=P(O)(O)OCC1OC(O)C(NP(=O)(O)C)C(O)C1O
InChi:	InChI=1S/C7H17NO10P2/c1-19(12,13)8-4-6(10)5(9)3(18-7(4)11)2-17-20(14,15)16/h3-7,9-11H,2H2,1H3,(H2,8,12,13)(H2,14,15,16)/t3-,4-,5-,6-,7+/m1/s1
Synonyms:	N-ACETYLPHOSPHONOAMIDATE-D-GLUCOSAMINE-6-PHOSPHATE
Definition date:	2007-03-26
Last modified:	2020-07-17
Identifier:	2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose

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

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

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

MG5

MG5
Name:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose
Formula:	C15 H25 N O11 S
SMILES:	O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)N
InChi:	InChI=1S/C15H25NO11S/c1-4-9(17)25-12-8(7-23-28(16,21)22)24-15(20)14(27-11(19)6-3)13(12)26-10(18)5-2/h8,12-15,20H,4-7H2,1-3H3,(H2,16,21,22)/t8-,12-,13+,14-,15-/m1/s1
Synonyms:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucose
Definition date:	2011-08-30
Last modified:	2020-07-17
Identifier:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-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

MGC

MGC
Name:	methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
Formula:	C9 H17 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1OC)CO)C
InChi:	InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9+/m1/s1
Synonyms:	ALPHA-METHYL-N-ACETYL-D-GALACTOSAMINE
Definition date:	2003-07-02
Last modified:	2020-07-17
Identifier:	methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranoside

WUN

WUN
Name:	2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranose
Formula:	C13 H18 Cl N O5
SMILES:	Clc1ccc(cc1)COC2C(OC(O)C(N)C2O)CO
InChi:	InChI=1S/C13H18ClNO5/c14-8-3-1-7(2-4-8)6-19-12-9(5-16)20-13(18)10(15)11(12)17/h1-4,9-13,16-18H,5-6,15H2/t9-,10-,11-,12-,13+/m1/s1
Synonyms:	(2S,3R,4R,5S,6R)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4-diol
Definition date:	2012-07-30
Last modified:	2020-07-17
Release date:	2013-08-07
Identifier:	2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranose

N9S

N9S
Name:	4-O-alpha-D-Glucopyranosyl-beta-D-glucopyranose
Formula:	C12 H22 O11
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
Synonyms:	Beta-Maltose
Definition date:	2014-01-21
Last modified:	2020-07-17
Release date:	2014-05-21
Identifier:	4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose

MGL

MGL
Name:	methyl beta-D-glucopyranoside
Formula:	C7 H14 O6
SMILES:	OC1C(O)C(O)C(OC1OC)CO
InChi:	InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
Synonyms:	O1-METHYL-GLUCOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	methyl beta-D-glucopyranoside

UMV

UMV
Name:	methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate
Formula:	C27 H23 N3 O6
SMILES:	c3c(c(Oc2c(C)c1cc(C#N)ccc1c(c2)CC(=O)OC)ccc3)OCCN4C=CC(NC4=O)=O
InChi:	InChI=1S/C27H23N3O6/c1-17-21-13-18(16-28)7-8-20(21)19(15-26(32)34-2)14-24(17)36-23-6-4-3-5-22(23)35-12-11-30-10-9-25(31)29-27(30)33/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,31,33)
Definition date:	2020-05-25
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate

UMY

UMY
Name:	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile
Formula:	C24 H18 F N3 O4
SMILES:	c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)F
InChi:	InChI=1S/C24H18FN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)
Definition date:	2020-05-25
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile

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

SZZ

SZZ
Name:	Sinigrin
Formula:	C10 H17 N O9 S2
SMILES:	OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
Definition date:	2016-11-16
Last modified:	2020-07-17
Release date:	2017-07-05
Identifier:	[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{E})-~{N}-sulfooxybut-3-enimidothioate

XS2

XS2
Name:	METHYL4,4II,4III,4IV-TETRATHIO-BETA-D-XYLOPENTOSIDE
Formula:	C26 H44 O17 S4
SMILES:	S(C2COC(SC1C(O)C(O)C(OC)OC1)C(O)C2O)C5OCC(SC4OCC(SC3OCC(O)C(O)C3O)C(O)C4O)C(O)C5O
InChi:	InChI=1S/C26H44O17S4/c1-38-22-17(33)13(29)8(3-39-22)44-24-19(35)15(31)10(5-41-24)46-26-21(37)16(32)11(6-43-26)47-25-20(36)14(30)9(4-42-25)45-23-18(34)12(28)7(27)2-40-23/h7-37H,2-6H2,1H3/t7?,8-,9?,10-,11-,12?,13+,14?,15+,16+,17-,18?,19-,20?,21-,22+,23?,24+,25?,26+/m1/s1
Definition date:	2004-10-14
Last modified:	2020-07-17
Identifier:	methyl pentopyranosyl-(1->4)-4-thiopentopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-alpha-D-xylopyranoside

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

NAA

NAA
Name:	2-acetamido-2-deoxy-beta-D-allopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7+,8-/m1/s1
Synonyms:	N-acetyl-beta-D-allosamine
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-beta-D-allopyranose

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

V1G

V1G
Name:	(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide
Formula:	C28 H27 F2 N5 O4
SMILES:	CC(c4cc(F)c5C(=O)N(c3c(c(C=2C=C(NC(=O)C1C(C1)F)C(=O)N(C=2)C)ccn3)CO)N=Cc5c4)(C)C
InChi:	InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m1/s1
Definition date:	2020-06-12
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide

NAG

NAG
Name:	2-acetamido-2-deoxy-beta-D-glucopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:	N-acetyl-beta-D-glucosamine
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-beta-D-glucopyranose

ZDC

ZDC
Name:	3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
Formula:	C8 H14 O6
SMILES:	O=C(O)CC1OC(C(O)C(O)C1O)C
InChi:	InChI=1S/C8H14O6/c1-3-6(11)8(13)7(12)4(14-3)2-5(9)10/h3-4,6-8,11-13H,2H2,1H3,(H,9,10)/t3-,4-,6+,7+,8+/m0/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2016-02-10
Identifier:	3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid

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