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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

ZEL

ZEL
Name:	methyl beta-D-altropyranoside
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
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl beta-D-altropyranoside

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

SQY

SQY
Name:	methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate
Formula:	C15 H14 Br N O2
SMILES:	COC(=O)[CH](Cc1ccc(Br)cc1)c2ccncc2
InChi:	InChI=1S/C15H14BrNO2/c1-19-15(18)14(12-6-8-17-9-7-12)10-11-2-4-13(16)5-3-11/h2-9,14H,10H2,1H3/t14-/m1/s1
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate

SR1

SR1
Name:	5-S-methyl-5-thio-alpha-D-ribofuranose
Formula:	C6 H12 O4 S
SMILES:	OC1C(OC(O)C1O)CSC
InChi:	InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
Synonyms:	5-S-methyl-5-thio-alpha-D-ribose
Definition date:	2005-03-31
Last modified:	2020-07-17
Identifier:	5-S-methyl-5-thio-alpha-D-ribofuranose

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

SR4

SR4
Name:	2,3-dihydro-1-benzoxepine-5-carboxylic acid
Formula:	C11 H10 O3
SMILES:	OC(=O)C1=CCCOc2ccccc12
InChi:	InChI=1S/C11H10O3/c12-11(13)9-5-3-7-14-10-6-2-1-4-8(9)10/h1-2,4-6H,3,7H2,(H,12,13)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2,3-dihydro-1-benzoxepine-5-carboxylic acid

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

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

SRJ

SRJ
Name:	(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
Formula:	C18 H25 N O2
SMILES:	O[CH]([CH]1N(CC2CC2)C3CCC1(O)CC3)c4ccccc4
InChi:	InChI=1S/C18H25NO2/c20-16(14-4-2-1-3-5-14)17-18(21)10-8-15(9-11-18)19(17)12-13-6-7-13/h1-5,13,15-17,20-21H,6-12H2/t15-,16-,17-,18-/m0/s1
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol

SCG

SCG
Name:	Secologanin
Formula:	C17 H24 O10
SMILES:	O=CCC2C(C(=O)OC)=COC(OC1OC(C(O)C(O)C1O)CO)C2C=C
InChi:	InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1
Synonyms:	METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
Definition date:	2006-01-19
Last modified:	2020-07-17
Identifier:	methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate

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

SCR

SCR
Name:	SUCROSE OCTASULFATE
Formula:	C12 H22 O35 S8
SMILES:	O=S(=O)(O)OC1C(OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)OC2(OC(C(OS(=O)(=O)O)C2OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O
InChi:	InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1,3,4,6-tetra-O-sulfo-beta-D-fructofuranosyl 2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranoside

WIA

WIA
Name:	methyl 6-thio-beta-D-galactopyranoside
Formula:	C7 H14 O5 S
SMILES:	C1(OC)C(O)C(O)C(O)C(O1)CS
InChi:	InChI=1S/C7H14O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h3-10,13H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
Synonyms:	methyl 6-thio-beta-D-galactoside
Definition date:	2003-11-28
Last modified:	2020-07-17
Identifier:	methyl 6-thio-beta-D-galactopyranoside

T68

T68
Name:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
Formula:	C13 H17 N3 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ncccc2
InChi:	InChI=1S/C13H17N3O7/c17-5-7-8(18)9(19)10(20)12(23-7)16-13(22)15-11(21)6-3-1-2-4-14-6/h1-4,7-10,12,17-20H,5H2,(H2,15,16,21,22)/t7-,8-,9+,10-,12-/m1/s1
Synonyms:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine
Definition date:	2012-11-22
Last modified:	2020-07-17
Release date:	2013-12-11
Identifier:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine

T6D

T6D
Name:	alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside
Formula:	C22 H40 O12
SMILES:	C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)OC2C(C(C(C(CO)O2)O)O)O
InChi:	InChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-14(24)31-11-13-16(26)18(28)20(30)22(33-13)34-21-19(29)17(27)15(25)12(10-23)32-21/h12-13,15-23,25-30H,2-11H2,1H3/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
Synonyms:	trehalose 6-decanoate
Definition date:	2018-10-02
Last modified:	2020-07-17
Release date:	2019-09-18
Identifier:	alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside

V71

V71
Name:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside
Formula:	C12 H25 F N4 O5
SMILES:	C1(C(C(O)C(C(CN)O1)F)N)OC2C(C(O)C(N)CC2N)O
InChi:	InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6+,7-,8+,9+,10-,11-,12-/m1/s1
Synonyms:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactoside
Definition date:	2015-06-17
Last modified:	2020-07-17
Release date:	2016-06-22
Identifier:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside

SSG

SSG
Name:	1,4-dithio-beta-D-glucopyranose
Formula:	C6 H12 O4 S2
SMILES:	OC1C(S)C(OC(S)C1O)CO
InChi:	InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE
Definition date:	2000-07-13
Last modified:	2020-07-17
Identifier:	1,4-dithio-beta-D-glucopyranose

T6P

T6P
Name:	Trehalose-6-phosphate
Formula:	C12 H23 O14 P
SMILES:	O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O
InChi:	InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)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
Synonyms:	6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside
Definition date:	1999-08-20
Last modified:	2020-07-17
Identifier:	6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside

SSY

SSY
Name:	~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide
Formula:	C10 H8 F3 N O2
SMILES:	CC(=O)c1cccc(NC(=O)C(F)(F)F)c1
InChi:	InChI=1S/C10H8F3NO2/c1-6(15)7-3-2-4-8(5-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide

K8Q

K8Q
Name:	4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide
Formula:	C19 H18 Br I N4 O2
SMILES:	Brc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12
InChi:	InChI=1S/C19H18BrIN4O2/c20-15-2-1-3-16-17(15)23-19(27)25(16)14-8-10-24(11-9-14)18(26)22-13-6-4-12(21)5-7-13/h1-7,14H,8-11H2,(H,22,26)(H,23,27)
Definition date:	2019-05-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide

SDY

SDY
Name:	beta-D-talopyranose
Formula:	C6 H12 O6
SMILES:	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
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:	beta-D-talose
Definition date:	2020-03-06
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

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

SEJ

SEJ
Name:	beta-D-arabinopyranose
Formula:	C5 H10 O5
SMILES:	O[CH]1CO[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m1/s1
Synonyms:	beta-D-arabinose
Definition date:	2020-03-06
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	(2~{R},3~{S},4~{R},5~{R})-oxane-2,3,4,5-tetrol

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

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