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WZ4

WZ4
Name:	methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio -alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside
Formula:	C33 H57 N O25 S
SMILES:	O=C(NC5C(O)C(O)C(OC5OC4C(O)C(O)C(OC4OC1C(O)C(OC(OC)C1O)COC3OC(CSC2OC(C(O)C(O)C2O)CO)C(O)C(O)C3O)CO)CO)C
InChi:	InChI=1S/C33H57NO25S/c1-8(38)34-14-20(44)15(39)9(3-35)53-29(14)59-28-23(47)17(41)10(4-36)54-32(28)58-27-19(43)12(55-30(51-2)26(27)50)6-52-31-24(48)21(45)18(42)13(56-31)7-60-33-25(49)22(46)16(40)11(5-37)57-33/h9-33,35-37,39-50H,3-7H2,1-2H3,(H,34,38)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31+,32-,33-/m1/s1
Synonyms:	Methyl(2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->3)-[ALPHA-D-MANNOPYRANOSYL-(1->6)-6 -THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)]-BETA-D-MANNOPYRANOSIDE
Definition date:	2008-01-11
Last modified:	2020-07-17
Identifier:	methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside

SWD

SWD
Name:	4-chloranylthieno[3,2-d]pyrimidine
Formula:	C6 H3 Cl N2 S
SMILES:	Clc1ncnc2ccsc12
InChi:	InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-chloranylthieno[3,2-d]pyrimidine

SWE

SWE
Name:	alpha-D-fructofuranosyl alpha-D-glucopyranoside
Formula:	C12 H22 O11
SMILES:	O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO
InChi:	InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-/m1/s1
Definition date:	2009-09-17
Last modified:	2020-07-17
Identifier:	alpha-D-fructofuranosyl alpha-D-glucopyranoside

SHB

SHB
Name:	methyl beta-D-galactopyranuronate
Formula:	C7 H12 O7
SMILES:	O=C(OC)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6+/m0/s1
Definition date:	2009-01-17
Last modified:	2020-07-17
Identifier:	methyl beta-D-galactopyranuronate

SHD

SHD
Name:	alpha-D-altropyranose
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-altrose
Definition date:	2009-01-17
Last modified:	2020-07-17
Identifier:	alpha-D-altropyranose

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

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

B4G

B4G
Name:	GALACTOTRIOSE
Formula:	C18 H32 O16
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1
Synonyms:	BETA-1,4-GALACTOTRIOSIDE
Definition date:	2003-10-23
Last modified:	2020-07-17
Identifier:	beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose

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

604

604
Name:	2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e
Formula:	C19 H21 Br N2 O10 S
SMILES:	Cc1oc(cc1C(O)=O)[S](=O)(=O)NC[CH]2O[CH](O)[CH](NC(=O)c3cccc(Br)c3)[CH](O)[CH]2O
InChi:	InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19+/m1/s1
Synonyms:	5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m ethyl-furan-3-carboxylic acid
Definition date:	2016-01-07
Last modified:	2020-07-17
Release date:	2016-03-30
Identifier:	5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m ethyl-furan-3-carboxylic acid

DJB

DJB
Name:	3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid
Formula:	C10 H15 N O8
SMILES:	CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1OC(C)=O)C(O)=O
InChi:	InChI=1S/C10H15NO8/c1-3(12)11-5-7(18-4(2)13)6(14)8(9(15)16)19-10(5)17/h5-8,10,14,17H,1-2H3,(H,11,12)(H,15,16)/t5-,6-,7-,8+,10+/m1/s1
Synonyms:	alpha-D-2-N-acetyl-3-O-acetylgalactosaminuronic acid
Definition date:	2018-01-18
Last modified:	2020-07-17
Release date:	2018-05-02
Identifier:	(2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-4-acetyloxy-3,6-bis(oxidanyl)oxane-2-carboxylic acid

DJE

DJE
Name:	2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid
Formula:	C8 H13 N O7
SMILES:	CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4-,5-,6+,8+/m1/s1
Synonyms:	alpha-D-2-N-acetylgalactosaminuronic acid
Definition date:	2018-01-18
Last modified:	2020-07-17
Release date:	2018-05-02
Identifier:	(2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid

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

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

DK0

DK0
Name:	(2~{R})-1-phenylpropan-2-ol
Formula:	C9 H12 O
SMILES:	C[CH](O)Cc1ccccc1
InChi:	InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
Definition date:	2019-08-06
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(2~{R})-1-phenylpropan-2-ol

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)

DK4

DK4
Name:	1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
Formula:	C10 H12 F2 N2 O6
SMILES:	OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=C(F)C(=O)NC2=O
InChi:	InChI=1S/C10H12F2N2O6/c11-3-1-14(10(19)13-8(3)18)9-7(17)5(12)6(16)4(2-15)20-9/h1,4-7,9,15-17H,2H2,(H,13,18,19)/t4-,5+,6-,7-,9-/m1/s1
Synonyms:	1-(3-deoxy-3-fluoro-beta-D-glucosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
Definition date:	2010-01-13
Last modified:	2020-07-17
Identifier:	5-fluoro-1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione

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

DK6

DK6
Name:	propane-1,1-diol
Formula:	C3 H8 O2
SMILES:	CCC(O)O
InChi:	InChI=1S/C3H8O2/c1-2-3(4)5/h3-5H,2H2,1H3
Definition date:	2019-08-07
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	propane-1,1-diol

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

DK9

DK9
Name:	pentane-1,1-diol
Formula:	C5 H12 O2
SMILES:	CCCCC(O)O
InChi:	InChI=1S/C5H12O2/c1-2-3-4-5(6)7/h5-7H,2-4H2,1H3
Definition date:	2019-08-07
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	pentane-1,1-diol

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)

DKF

DKF
Name:	hexane-1,1-diol
Formula:	C6 H14 O2
SMILES:	CCCCCC(O)O
InChi:	InChI=1S/C6H14O2/c1-2-3-4-5-6(7)8/h6-8H,2-5H2,1H3
Definition date:	2019-08-07
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	hexane-1,1-diol

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)

DKL

DKL
Name:	heptane-1,1-diol
Formula:	C7 H16 O2
SMILES:	CCCCCCC(O)O
InChi:	InChI=1S/C7H16O2/c1-2-3-4-5-6-7(8)9/h7-9H,2-6H2,1H3
Definition date:	2019-08-07
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	heptane-1,1-diol

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