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8PK

8PK
Name:	4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose
Formula:	C9 H18 O6
SMILES:	CO[CH]1[CH](O)O[CH](C)[CH](O[CH](C)O)[CH]1O
InChi:	InChI=1S/C9H18O6/c1-4-7(15-5(2)10)6(11)8(13-3)9(12)14-4/h4-12H,1-3H3/t4-,5+,6+,7+,8-,9+/m0/s1
Synonyms:	2-O-methyl, 4-O-Acetyl-alpha-L-fucosepyranose
Definition date:	2017-02-18
Last modified:	2020-07-17
Release date:	2017-03-22
Identifier:	(2~{R},3~{S},4~{R},5~{S},6~{S})-3-methoxy-6-methyl-5-[(1~{R})-1-oxidanylethoxy]oxane-2,4-diol

UCD

UCD
Name:	(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5 ,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
Formula:	C14 H21 N O11
SMILES:	O=C(O)C=2OC(OC1C(O)C(OC(O)C1NC(=O)C)CO)C(O)C(O)C=2
InChi:	InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1
Synonyms:	4-DEOXY-L-THREO-HEX-4-ENOPYRANOSYLURONIC ACID-(1,3)-N-ACETYL-D-GALACTOSAMINE
Definition date:	2005-08-04
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose

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

8S0

8S0
Name:	L-glucono-1,5-lactone
Formula:	C6 H10 O6
SMILES:	OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m0/s1
Synonyms:	(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one
Definition date:	2017-09-07
Last modified:	2020-07-17
Release date:	2018-05-23
Identifier:	(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one

SLS

SLS
Name:	3,4-dihydro-2~{H}-chromene-6-carboxamide
Formula:	C10 H11 N O2
SMILES:	NC(=O)c1ccc2OCCCc2c1
InChi:	InChI=1S/C10H11NO2/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,11,12)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3,4-dihydro-2~{H}-chromene-6-carboxamide

SLT

SLT
Name:	5-(ACETYLAMINO)-3,5-DIDEOXYNON-2-ULOPYRANONOSYL-(2->3)-BETA-D-LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE
Formula:	C23 H39 N O19
SMILES:	O=C(NC1C(O)CC(OC1C(O)C(O)CO)(OC3C(O)C(OC(OC2C(OC(O)C(O)C2O)CO)C3O)CO)C(=O)O)C
InChi:	InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20-,21-,23-/m0/s1
Synonyms:	LACTOSE SIALIC ACID
Definition date:	2004-01-19
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose

SLV

SLV
Name:	~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide
Formula:	C11 H15 N O2
SMILES:	CCCc1ccc(NC(C)=O)cc1O
InChi:	InChI=1S/C11H15NO2/c1-3-4-9-5-6-10(7-11(9)14)12-8(2)13/h5-7,14H,3-4H2,1-2H3,(H,12,13)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide

SLY

SLY
Name:	(2-phenoxyphenyl)methanamine
Formula:	C13 H13 N O
SMILES:	NCc1ccccc1Oc2ccccc2
InChi:	InChI=1S/C13H13NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10,14H2
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(2-phenoxyphenyl)methanamine

SMD

SMD
Name:	METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE
Formula:	C13 H24 O10 S
SMILES:	S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1
Definition date:	2004-09-03
Last modified:	2020-07-17
Identifier:	methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside

SMV

SMV
Name:	thiophene-2-carbothioamide
Formula:	C5 H5 N S2
SMILES:	NC(=S)c1sccc1
InChi:	InChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	thiophene-2-carbothioamide

SN4

SN4
Name:	6-methoxypyridine-3-carbothioamide
Formula:	C7 H8 N2 O S
SMILES:	COc1ccc(cn1)C(N)=S
InChi:	InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	6-methoxypyridine-3-carbothioamide

SN5

SN5
Name:	2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose
Formula:	C8 H15 N O5 S
SMILES:	S=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO5S/c1-3(15)9-5-7(12)6(11)4(2-10)14-8(5)13/h4-8,10-13H,2H2,1H3,(H,9,15)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:	N-ethanethioyl-beta-D-glucosamine
Definition date:	2009-06-04
Last modified:	2020-07-17
Identifier:	2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose

SNG

SNG
Name:	methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucopyranoside
Formula:	C9 H17 N O5 Se
SMILES:	O=C(NC1C(O)C(O)C(OC1[Se]C)CO)C
InChi:	InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1
Synonyms:	METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SELENO-BETA-D-GLUCOPYRANOSIDE
Definition date:	2002-12-20
Last modified:	2020-07-17
Identifier:	methyl 2-(acetylamino)-2-deoxy-1-seleno-beta-D-glucopyranoside

SNJ

SNJ
Name:	2,5-diphenyl-4~{H}-pyrazol-3-one
Formula:	C15 H12 N2 O
SMILES:	O=C1CC(=NN1c2ccccc2)c3ccccc3
InChi:	InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2,5-diphenyl-4~{H}-pyrazol-3-one

SNV

SNV
Name:	2-[4-(2-aminophenyl)piperazin-1-yl]ethanol
Formula:	C12 H19 N3 O
SMILES:	Nc1ccccc1N2CCN(CCO)CC2
InChi:	InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-[4-(2-aminophenyl)piperazin-1-yl]ethanol

SO7

SO7
Name:	(3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide
Formula:	C14 H18 N2 O4
SMILES:	CON(C)C(=O)[CH]1CN(C(=O)C1)c2ccc(OC)cc2
InChi:	InChI=1S/C14H18N2O4/c1-15(20-3)14(18)10-8-13(17)16(9-10)11-4-6-12(19-2)7-5-11/h4-7,10H,8-9H2,1-3H3/t10-/m0/s1
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide

SOE

SOE
Name:	alpha-L-sorbopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)(OCC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1
Synonyms:	alpha-L-sorbose
Definition date:	2010-05-14
Last modified:	2020-07-17
Identifier:	alpha-L-sorbopyranose

SOG

SOG
Name:	octyl 1-thio-beta-D-glucopyranoside
Formula:	C14 H28 O5 S
SMILES:	S(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1
Synonyms:	2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
Definition date:	2003-01-21
Last modified:	2020-07-17
Identifier:	octyl 1-thio-beta-D-glucopyranoside

SOJ

SOJ
Name:	~{N}4-phenylbenzene-1,4-diamine
Formula:	C12 H12 N2
SMILES:	Nc1ccc(Nc2ccccc2)cc1
InChi:	InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	~{N}4-phenylbenzene-1,4-diamine

SOV

SOV
Name:	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
Formula:	C12 H8 N2 O2
SMILES:	Cc1ccc(cc1C#N)N2C(=O)C=CC2=O
InChi:	InChI=1S/C12H8N2O2/c1-8-2-3-10(6-9(8)7-13)14-11(15)4-5-12(14)16/h2-6H,1H3
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile

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

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

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

SQM

SQM
Name:	4-benzamido-2-methyl-pyrazole-3-carboxamide
Formula:	C12 H12 N4 O2
SMILES:	Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O
InChi:	InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-benzamido-2-methyl-pyrazole-3-carboxamide

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

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