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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
BMX
BMX
Name:2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
Formula:C8 H16 N O9 P
SMILES:O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H16NO9P/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)(H2,14,15,16)/t4-,5+,6-,7-,8+/m1/s1
Synonyms:2-(ACETYLAMINO)-2-DEOXY-6-O-PHOSPHONO-ALPHA-D-MANNOPYRANOSE
Definition date:2011-05-10
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
QCQ
QCQ
Name:[[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Formula:C18 H21 Cl F N5 O8 P2
SMILES:O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)nc(Cl)nc23
InChi:InChI=1S/C18H21ClFN5O8P2/c19-18-23-15(21-6-10-4-2-1-3-5-10)13-16(24-18)25(8-22-13)17-12(20)14(26)11(33-17)7-32-35(30,31)9-34(27,28)29/h1-5,8,11-12,14,17,26H,6-7,9H2,(H,30,31)(H,21,23,24)(H2,27,28,29)/t11-,12+,14-,17-/m1/s1
Definition date:2020-06-05
Last modified:2020-07-17
Release date:2020-07-22
Identifier:[[(2~{R},3~{R},4~{S},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
RGG
RGG
Name:(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside
Formula:C9 H18 O8
SMILES:O(CC(O)CO)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1
Synonyms:(2R)-glyceryl-beta-D-galactopyranoside
Definition date:2009-02-19
Last modified:2020-07-17
Identifier:(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside
BND
BND
Name:methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:C19 H26 N2 O9
SMILES:O=C(c1ccccc1)NCC(O)C(O)C2OC(OC)(C(=O)O)CC(O)C2NC(=O)C
InChi:InChI=1S/C19H26N2O9/c1-10(22)21-14-12(23)8-19(29-2,18(27)28)30-16(14)15(25)13(24)9-20-17(26)11-6-4-3-5-7-11/h3-7,12-16,23-25H,8-9H2,1-2H3,(H,20,26)(H,21,22)(H,27,28)/t12-,13+,14+,15+,16+,19+/m0/s1
Synonyms:ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC
Definition date:2003-02-14
Last modified:2020-07-17
Identifier:methyl 5-(acetylamino)-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
BNG
BNG
Name:nonyl beta-D-glucopyranoside
Formula:C15 H30 O6
SMILES:O(CCCCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
Synonyms:Beta-NONYLGLUCOSIDE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:nonyl beta-D-glucopyranoside
UNS
UNS
Name:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
Formula:C25 H20 F N3 O4
SMILES:c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccc(cc4OCCN3C=CC(=O)NC3=O)F)C
InChi:InChI=1S/C25H20FN3O4/c1-15-11-22(16(2)20-12-17(14-27)3-5-19(15)20)33-21-6-4-18(26)13-23(21)32-10-9-29-8-7-24(30)28-25(29)31/h3-8,11-13H,9-10H2,1-2H3,(H,28,30,31)
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]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
UO4
UO4
Name:5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
Formula:C28 H25 N3 O4
SMILES:c1c(c(ccc1)Oc3c(C)c2cc(C#N)ccc2c(c3)CC4CC4)OCCN5C=CC(NC5=O)=O
InChi:InChI=1S/C28H25N3O4/c1-18-23-15-20(17-29)8-9-22(23)21(14-19-6-7-19)16-26(18)35-25-5-3-2-4-24(25)34-13-12-31-11-10-27(32)30-28(31)33/h2-5,8-11,15-16,19H,6-7,12-14H2,1H3,(H,30,32,33)
Definition date:2020-05-25
Last modified:2020-07-17
Release date:2020-07-22
Identifier:5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
BNX
BNX
Name:2-O-phosphono-beta-D-glucopyranose
Formula:C6 H13 O9 P
SMILES:O=P(OC1C(O)C(O)C(OC1O)CO)(O)O
InChi:InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
Synonyms:2-O-phosphono-beta-D-glucose
Definition date:2014-09-18
Last modified:2020-07-17
Release date:2015-08-19
Identifier:2-O-phosphono-beta-D-glucopyranose
BO1
BO1
Name:N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine
Formula:C12 H18 N2 O7 S
SMILES:O=S(=O)(N)c1ccc(cc1)NC2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)/t8-,9-,10+,11-,12-/m1/s1
Synonyms:N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-GLUCOPYRANOSYLAMINE
Definition date:2006-07-12
Last modified:2020-07-17
Identifier:N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine
ONN
ONN
Name:2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid
Formula:C26 H32 N4 O6 S2
SMILES:N[CH]1CCSSC[CH](NC(=O)C[CH](Cc2ccc(O)cc2)NC1=O)C(=O)NCc3ccccc3CC(O)=O
InChi:InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
Definition date:2020-03-21
Last modified:2020-07-17
Release date:2020-07-22
Identifier:2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid
RHA
RHA
Name:6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose
Formula:C6 H13 O8 P
SMILES:O=P(OC1OC(C(O)C(O)C1O)C)(O)O
InChi:InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5+,6-/m0/s1
Synonyms:6-DEOXY-MANNOSE-1'-PHOSPHATE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:6-deoxy-1-O-phosphono-alpha-L-mannopyranose
RHC
RHC
Name:(2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
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:5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)-TETRAHYDRO-FURAN-2,3,4-TRIOL
Definition date:2001-09-10
Last modified:2020-07-17
Identifier:(2S)-2-amino-4-({[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)
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
BOG
BOG
Name:octyl beta-D-glucopyranoside
Formula:C14 H28 O6
SMILES:O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
Synonyms:Beta-Octylglucoside
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:octyl beta-D-glucopyranoside
RI2
RI2
Name:1,5-di-O-phosphono-alpha-D-ribofuranose
Formula:C5 H12 O11 P2
SMILES:O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C1O
InChi:InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
Synonyms:1,5-di-O-phosphono-alpha-D-ribose
Definition date:2011-01-07
Last modified:2020-07-17
Identifier:1,5-di-O-phosphono-alpha-D-ribofuranose
3R3
3R3
Name:[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
Formula:C5 H14 N O13 P3
SMILES:O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O
InChi:InChI=1S/C5H14NO13P3/c7-3-2(1-17-22(14,15)16)18-5(4(3)8)19-21(12,13)6-20(9,10)11/h2-5,7-8H,1H2,(H2,14,15,16)(H4,6,9,10,11,12,13)/t2-,3-,4-,5-/m1/s1
Definition date:2014-10-13
Last modified:2020-07-17
Release date:2015-12-23
Identifier:[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
OPM
OPM
Name:pentyl alpha-D-mannopyranoside
Formula:C11 H22 O6
SMILES:O(CCCCC)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1
Synonyms:O1-PENTYL-MANNOSE
Definition date:2002-07-10
Last modified:2020-07-17
Identifier:pentyl alpha-D-mannopyranoside
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
3S6
3S6
Name:prop-2-en-1-yl beta-D-galactofuranoside
Formula:C9 H16 O6
SMILES:O(C/C=C)C1OC(C(O)C1O)C(O)CO
InChi:InChI=1S/C9H16O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9-/m1/s1
Synonyms:prop-2-en-1-yl beta-D-galactoside
Definition date:2014-10-16
Last modified:2020-07-17
Release date:2015-07-01
Identifier:prop-2-en-1-yl beta-D-galactofuranoside
3SA
3SA
Name:ACARBOSE DERIVED TRISACCHARIDE
Formula:C19 H33 N O13
SMILES:OC3C(OC2OC(C)C(NC1C=C(CO)C(O)C(O)C1O)C(O)C2O)C(OC(O)C3O)CO
InChi:InChI=1S/C19H33NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h2,5,7-30H,3-4H2,1H3/t5-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19-/m1/s1
Synonyms:4-O-(4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL)-ALPHA-D-ERY THRO-HEXOPYRANOSE
Definition date:2004-09-15
Last modified:2020-07-17
Identifier:4-O-(4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose
BS7
BS7
Name:8-hydroxyquinoline beta-galactopyranoside
Formula:C15 H17 N O6
SMILES:C3(C(C(Oc2c1c(cccn1)ccc2)OC(C3O)CO)O)O
InChi:InChI=1S/C15H17NO6/c17-7-10-12(18)13(19)14(20)15(22-10)21-9-5-1-3-8-4-2-6-16-11(8)9/h1-6,10,12-15,17-20H,7H2/t10-,12+,13+,14-,15-/m1/s1
Synonyms:quinolin-8-yl beta-D-galactopyranoside
Definition date:2017-08-23
Last modified:2020-07-17
Release date:2018-02-28
Identifier:quinolin-8-yl beta-D-galactopyranoside
RM4
RM4
Name:beta-L-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-/m0/s1
Synonyms:beta-L-rhamnose
Definition date:2008-10-22
Last modified:2020-07-17
Identifier:6-deoxy-beta-L-mannopyranose
QIF
QIF
Name:1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
Formula:C7 H15 O9 P
SMILES:C1(C(C(O)C(C(COP(=O)(O)O)O1)O)O)(O)C
InChi:InChI=1S/C7H15O9P/c1-7(11)6(10)5(9)4(8)3(16-7)2-15-17(12,13)14/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1
Synonyms:1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulose
Definition date:2018-11-09
Last modified:2020-07-17
Release date:2019-05-01
Identifier:1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
OSU
OSU
Name:N-OCTANOYLSUCROSE
Formula:C20 H36 O12
SMILES:O=C(OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C(O)C2O)CO)CCCCCCC
InChi:InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-15(25)18(28)20(10-22,31-12)32-19-17(27)16(26)14(24)11(8-21)30-19/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1
Synonyms:N-OCTANOYL-B-D-FRUCTOFURANOSYL-A-D-GLUCOPYRANOSIDE
Definition date:2003-07-14
Last modified:2020-07-17
Identifier:6-O-octanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside

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