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PDB Info pages Status search Chemie search: 44311 results BIRD

9T7

9T7
Name:	(2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
Formula:	C11 H17 F2 N O7
SMILES:	OC(C1(OC(C(C(C)O)O)C(C(C1F)O)NC(=O)C)F)=O
InChi:	InChI=1S/C11H17F2NO7/c1-3(15)6(17)8-5(14-4(2)16)7(18)9(12)11(13,21-8)10(19)20/h3,5-9,15,17-18H,1-2H3,(H,14,16)(H,19,20)/t3-,5-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxa ne-2-carboxylic acid
Definition date:	2017-06-07
Last modified:	2020-07-17
Release date:	2018-02-21
Identifier:	(2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R,2R)-1,2-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

9WJ

9WJ
Name:	4-acetamido-4,6-dideoxy-beta-D-mannopyranose
Formula:	C8 H15 N O5
SMILES:	OC1C(C(OC(C1NC(=O)C)C)O)O
InChi:	InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8-/m1/s1
Synonyms:	4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose
Definition date:	2017-06-19
Last modified:	2020-07-17
Release date:	2018-10-24
Identifier:	4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose

9WN

9WN
Name:	(2R)-2-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoic acid
Formula:	C9 H16 O9
SMILES:	OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7-,9-/m1/s1
Synonyms:	(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid
Definition date:	2017-07-20
Last modified:	2020-07-17
Release date:	2018-08-08
Identifier:	(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid

9WZ

9WZ
Name:	2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructofuranoside
Formula:	C14 H20 O8
SMILES:	OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1
InChi:	InChI=1S/C14H20O8/c15-4-3-8-1-2-10(9(18)5-8)21-14(7-17)13(20)12(19)11(6-16)22-14/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1
Synonyms:	(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
Definition date:	2017-07-21
Last modified:	2020-07-17
Release date:	2018-11-28
Identifier:	(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol

9YW

9YW
Name:	(alpha-D-glucopyranosyloxy)acetic acid
Formula:	C8 H14 O8
SMILES:	OC[CH]1O[CH](OCC(O)=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C8H14O8/c9-1-3-5(12)6(13)7(14)8(16-3)15-2-4(10)11/h3,5-9,12-14H,1-2H2,(H,10,11)/t3-,5-,6+,7-,8+/m1/s1
Synonyms:	Glucosylglycolate
Definition date:	2017-08-05
Last modified:	2020-07-17
Release date:	2018-08-29
Identifier:	2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethanoic acid

A0K

A0K
Name:	1,3-dihydroxypropan-2-yl alpha-D-glucopyranoside
Formula:	C9 H18 O8
SMILES:	OCC(CO)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9+/m1/s1
Synonyms:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[1,3-bis(oxidanyl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Definition date:	2017-08-08
Last modified:	2020-07-17
Release date:	2018-08-29
Identifier:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[1,3-bis(oxidanyl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

CE8

CE8
Name:	CELLOOCTAOSE
Formula:	C48 H82 O41
SMILES:	OC8C(O)C(O)OC(CO)C8OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(OC4OC(C(OC3OC(CO)C(OC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C(O)C3O)C(O)C4O)CO)C(O)C5O)CO)C(O)C6O)C(O)C7O
InChi:	InChI=1S/C48H82O41/c49-1-9-17(57)18(58)27(67)42(76-9)84-35-11(3-51)78-44(29(69)20(35)60)86-37-13(5-53)80-46(31(71)22(37)62)88-39-15(7-55)82-48(33(73)24(39)64)89-40-16(8-56)81-47(32(72)25(40)65)87-38-14(6-54)79-45(30(70)23(38)63)85-36-12(4-52)77-43(28(68)21(36)61)83-34-10(2-50)75-41(74)26(66)19(34)59/h9-74H,1-8H2/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-,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+/m1/s1
Definition date:	2007-04-05
Last modified:	2020-07-17
Identifier:	beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

CEG

CEG
Name:	4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose
Formula:	C9 H14 O8
SMILES:	O=C(O)C1(OCC2OC(O)C(O)C(O)C2O1)C
InChi:	InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9+/m1/s1
Synonyms:	4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-GLUCOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose

CEX

CEX
Name:	alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4) -alpha-D-glucopyranose
Formula:	C30 H52 O26
SMILES:	OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O)O[CH]5CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m1/s1
Synonyms:	maltopentaose
Definition date:	2009-11-09
Last modified:	2020-07-17
Identifier:	(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

CEY

CEY
Name:	alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4) -alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose
Formula:	C36 H62 O31
SMILES:	OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O)O[CH]6CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1
Synonyms:	maltohexaose
Definition date:	2009-11-09
Last modified:	2020-07-17
Identifier:	(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

CEZ

CEZ
Name:	4-O-beta-D-glucopyranosyl-D-gluconic acid
Formula:	C12 H22 O12
SMILES:	O(C(C(C(C(O)=O)O)O)C(O)CO)C1OC(CO)C(O)C(C1O)O
InChi:	InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1
Synonyms:	cellobionic acid
Definition date:	2015-05-12
Last modified:	2020-07-17
Release date:	2015-06-10
Identifier:	4-O-beta-D-glucopyranosyl-D-gluconic acid

CGF

CGF
Name:	C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE
Formula:	C7 H14 N4 O6
SMILES:	[N-]=[N+]=N/C1(OC(C(O)C(O)C1O)CO)C(O)N
InChi:	InChI=1S/C7H14N4O6/c8-6(16)7(10-11-9)5(15)4(14)3(13)2(1-12)17-7/h2-6,12-16H,1,8H2/t2-,3-,4+,5-,6?,7+/m1/s1
Definition date:	2003-04-25
Last modified:	2020-07-17
Identifier:	(2S,3R,4S,5S,6R)-2-[(R)-amino(hydroxy)methyl]-2-azido-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)

CJB

CJB
Name:	1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione
Formula:	C10 H14 N2 O7
SMILES:	O=C1NC(=O)N(C=C1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C10H14N2O7/c13-3-4-6(15)7(16)8(17)9(19-4)12-2-1-5(14)11-10(12)18/h1-2,4,6-9,13,15-17H,3H2,(H,11,14,18)/t4-,6-,7+,8-,9-/m1/s1
Synonyms:	1-D-glucopyranosyl-uracil
Definition date:	2007-11-16
Last modified:	2020-07-17
Identifier:	1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

CKB

CKB
Name:	1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione
Formula:	C11 H16 N2 O7
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C11H16N2O7/c1-4-2-13(11(19)12-9(4)18)10-8(17)7(16)6(15)5(3-14)20-10/h2,5-8,10,14-17H,3H2,1H3,(H,12,18,19)/t5-,6-,7+,8-,10-/m1/s1
Synonyms:	1-D-glucopyranosyl-thymine
Definition date:	2007-11-16
Last modified:	2020-07-17
Identifier:	1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione

CKP

CKP
Name:	6-O-phosphono-beta-D-psicofuranosonic acid
Formula:	C6 H11 O10 P
SMILES:	O[CH]1[CH](O)[C](O)(O[CH]1CO[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C6H11O10P/c7-3-2(1-15-17(12,13)14)16-6(11,4(3)8)5(9)10/h2-4,7-8,11H,1H2,(H,9,10)(H2,12,13,14)/t2-,3-,4-,6-/m1/s1
Synonyms:	(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-2-CARBOXYLIC ACID
Definition date:	2006-01-19
Last modified:	2020-07-17
Identifier:	6-O-phosphono-beta-D-psicofuranosonic acid

CNP

CNP
Name:	2-propenyl-N-acetyl-neuraminic acid
Formula:	C14 H23 N O8
SMILES:	O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)CC=C
InChi:	InChI=1S/C14H23NO8/c1-3-4-14(13(21)22)5-8(18)10(15-7(2)17)12(23-14)11(20)9(19)6-16/h3,8-12,16,18-20H,1,4-6H2,2H3,(H,15,17)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
Synonyms:	2-PROPENYL-N-ACETYL-NEURAMIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-2-prop-2-en-1-yl-D-erythro-L-manno-nononic acid

CR1

CR1
Name:	N-(methoxycarbonyl)-beta-D-glucopyranosylamine
Formula:	C8 H15 N O7
SMILES:	O=C(OC)NC1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m1/s1
Synonyms:	1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCOPYRANOSE
Definition date:	2000-09-15
Last modified:	2020-07-17
Identifier:	N-(methoxycarbonyl)-beta-D-glucopyranosylamine

CR6

CR6
Name:	1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE
Formula:	C9 H16 N2 O7
SMILES:	O=C(NC1(OC(CO)C(O)C(O)C1O)C(=O)N)C
InChi:	InChI=1S/C9H16N2O7/c1-3(13)11-9(8(10)17)7(16)6(15)5(14)4(2-12)18-9/h4-7,12,14-16H,2H2,1H3,(H2,10,17)(H,11,13)/t4-,5-,6+,7-,9+/m1/s1
Definition date:	2000-09-15
Last modified:	2020-07-17
Identifier:	(2S,3R,4S,5S,6R)-2-(acetylamino)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name)

CRA

CRA
Name:	1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE
Formula:	C9 H16 N2 O8
SMILES:	O=C(OC)NC1(OC(CO)C(O)C(O)C1O)C(=O)N
InChi:	InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3-,4-,5+,6-,9+/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	methyl [(2S,3R,4S,5S,6R)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamate (non-preferred name)

HNV

HNV
Name:	3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside
Formula:	C16 H20 O7
SMILES:	C(#Cc1ccc(OC)cc1)COC2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C16H20O7/c1-21-11-6-4-10(5-7-11)3-2-8-22-16-15(20)14(19)13(18)12(9-17)23-16/h4-7,12-20H,8-9H2,1H3/t12-,13-,14+,15+,16+/m1/s1
Synonyms:	3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannoside
Definition date:	2012-05-09
Last modified:	2020-07-17
Identifier:	3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside

HNW

HNW
Name:	4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside
Formula:	C15 H18 O7
SMILES:	O(c1ccc(C#CCO)cc1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C15H18O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h3-6,11-20H,7-8H2/t11-,12-,13+,14+,15+/m1/s1
Synonyms:	D-MANNOSE ALPHA1O P-HYDROXYPROPYNYL-PHENYL
Definition date:	2012-05-17
Last modified:	2020-07-17
Identifier:	4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside

HSG

HSG
Name:	octyl alpha-L-altropyranoside
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+/m0/s1
Synonyms:	octyl alpha-L-altroside
Definition date:	2009-01-14
Last modified:	2020-07-17
Identifier:	octyl alpha-L-altropyranoside

HSH

HSH
Name:	octyl beta-D-galactopyranoside
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:	octyl beta-D-galactoside
Definition date:	2009-01-14
Last modified:	2020-07-17
Identifier:	octyl beta-D-galactopyranoside

HSJ

HSJ
Name:	octyl beta-L-talopyranoside
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-/m0/s1
Synonyms:	octyl beta-L-taloside
Definition date:	2009-01-14
Last modified:	2020-07-17
Release date:	2014-07-30
Identifier:	octyl beta-L-talopyranoside

HTG

HTG
Name:	heptyl 1-thio-beta-D-glucopyranoside
Formula:	C13 H26 O5 S
SMILES:	S(CCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1
Synonyms:	HEPTYL 1-THIOHEXOPYRANOSIDE
Definition date:	2004-07-21
Last modified:	2020-07-17
Identifier:	heptyl 1-thio-beta-D-glucopyranoside

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