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29S
29S
表記:Bazedoxifene
組成式:C30 H34 N2 O3
SMILES:Oc1ccc(cc1)c3c(c2cc(O)ccc2n3Cc5ccc(OCCN4CCCCCC4)cc5)C
InChi:InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
別名:1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
定義日:2013-09-13
最終更新日:2020-06-17
公開日:2016-01-13
識別子（ID）:1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
PZH
PZH
表記:1-(4-BROMOPHENYL)METHANAMINE
組成式:C7 H8 Br N
SMILES:Brc1ccc(cc1)CN
InChi:InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
別名:4-BROMOBENZYLAMINE
定義日:2006-07-21
最終更新日:2020-06-17
公開日:2014-03-19
識別子（ID）:1-(4-bromophenyl)methanamine
GOX
GOX
表記:(2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL
組成式:C6 H12 N2 O5
SMILES:OC1C(O)C(O)C(=NO)NC1CO
InChi:InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1
別名:D-GLUCONHYDROXIMO-1,5-LACTAM
定義日:2000-08-23
最終更新日:2020-06-17
識別子（ID）:(2Z,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one oxime
GP7
GP7
表記:(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate
組成式:C36 H68 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC
InChi:InChI=1S/C36H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,34H,3-6,8,10-12,14,16-33,37H2,1-2H3,(H,40,41)/b9-7+,15-13+/t34-/m1/s1
別名:1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine
定義日:2009-10-16
最終更新日:2020-06-17
識別子（ID）:(18R,21S)-24-amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphatetracosan-18-yl (9E,12E)-hexadeca-9,12-dienoate
QUE
QUE
表記:3,5,7,3',4'-PENTAHYDROXYFLAVONE
組成式:C15 H10 O7
SMILES:O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3O
InChi:InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
別名:QUERCETIN
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
QUG
QUG
表記:2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
組成式:C12 H15 N5 O3
SMILES:N1=C(Nc3c(C1=O)c(CNC2C(O)C(C=C2)O)cn3)N
InChi:InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9-/m0/s1
別名:Queuine
定義日:2019-06-06
最終更新日:2020-06-17
公開日:2019-09-18
識別子（ID）:2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
QUS
QUS
表記:(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID
組成式:C5 H7 N3 O5
SMILES:O=C1NC(=O)ON1CC(N)C(=O)O
InChi:InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
別名:QUISQUALATE
定義日:2002-09-05
最終更新日:2020-06-17
識別子（ID）:3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine
QV7
QV7
表記:3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid
組成式:C22 H16 N4 O13 S4
SMILES:O=S(=O)(O)c4ccc(/N=N/c3ccc(/N=N/c2c1c(cc(cc1)S(=O)(=O)O)cc(c2O)S(=O)(=O)O)c(c3)S(=O)(=O)O)cc4
InChi:InChI=1S/C22H16N4O13S4/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/b24-23+,26-25+
別名:Ponceau S
定義日:2011-03-01
最終更新日:2020-06-17
識別子（ID）:3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid
QWE
QWE
表記:amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium
組成式:C29 H40 N7 O4 S2
SMILES:O=C(c1nccs1)CCC4N(C(=O)C(NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)CCCNC(=[NH2+])N)CCCC4
InChi:InChI=1S/C29H39N7O4S2/c1-35(2)24-12-5-10-22-21(24)9-6-13-26(22)42(39,40)34-23(11-7-16-33-29(30)31)28(38)36-18-4-3-8-20(36)14-15-25(37)27-32-17-19-41-27/h5-6,9-10,12-13,17,19-20,23,34H,3-4,7-8,11,14-16,18H2,1-2H3,(H4,30,31,33)/p+1/t20-,23+/m1/s1
別名:RWJ-50215
定義日:2009-07-02
最終更新日:2020-06-17
識別子（ID）:amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]piperidin-1-yl}pentyl]amino}methaniminium
GSF
GSF
表記:L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE
組成式:C10 H17 N3 O8 S
SMILES:O=C(NC(C(=O)NCC(=O)O)CS(=O)O)CCC(C(=O)O)N
InChi:InChI=1S/C10H17N3O8S/c11-5(10(18)19)1-2-7(14)13-6(4-22(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/t5-,6-/m0/s1
別名:GLUTATHIONE SULFINATE
定義日:2005-03-09
最終更新日:2020-06-17
識別子（ID）:L-gamma-glutamyl-3-sulfino-L-alanylglycine
GSM
GSM
表記:L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE
組成式:C11 H19 N3 O6 S
SMILES:O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSC
InChi:InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
別名:S-METHYL-GLUTATHIONE
定義日:2005-07-15
最終更新日:2020-06-17
識別子（ID）:L-gamma-glutamyl-S-methyl-L-cysteinylglycine
GT0
GT0
表記:5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
組成式:C9 H13 N O3
SMILES:Oc1c(c(cnc1C)CO)COC
InChi:InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3
別名:ginkgotoxin
定義日:2012-04-13
最終更新日:2020-06-17
識別子（ID）:5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
GTF
GTF
表記:2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate)
組成式:C9 H14 F2 N3 O13 P3
SMILES:FC2(F)C(N1C(=O)N=C(N)C=C1)OC(C2O)COP(OP(O)(=O)OP(O)(O)=O)(O)=O
InChi:InChI=1S/C9H14F2N3O13P3/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
別名:Gemcitabine-TRIPHOSPHATE
定義日:2010-04-12
最終更新日:2020-06-17
識別子（ID）:2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate)
GTG
GTG
表記:7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE
組成式:C21 H30 N10 O18 P3
SMILES:O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O)C)N
InChi:InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
別名:MRNA CAP ANALOG N7-METHYL GPPPG
定義日:2002-11-04
最終更新日:2020-06-17
識別子（ID）:2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[{[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name)
GTY
GTY
表記:L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE
組成式:C18 H33 N3 O6 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCCCCCCCC
InChi:InChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(17(25)20-11-16(23)24)21-15(22)9-8-13(19)18(26)27/h13-14H,2-12,19H2,1H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14-/m0/s1
別名:S-OCTYLGLUTATHIONE
定義日:2004-08-09
最終更新日:2020-06-17
識別子（ID）:L-gamma-glutamyl-S-octyl-L-cysteinylglycine
QYM
QYM
表記:(9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol
組成式:C28 H37 N O3
SMILES:c1c3c(cc(c1)O)CCC4C2CCC(C2(CC(C34)c5ccc(cc5)OCCN(C)C)C)O
InChi:InChI=1S/C28H37NO3/c1-28-17-24(18-4-8-21(9-5-18)32-15-14-29(2)3)27-22-11-7-20(30)16-19(22)6-10-23(27)25(28)12-13-26(28)31/h4-5,7-9,11,16,23-27,30-31H,6,10,12-15,17H2,1-3H3/t23-,24+,25-,26-,27-,28-/m0/s1
別名:RU39411
定義日:2020-01-15
最終更新日:2020-06-17
公開日:2020-01-29
識別子（ID）:(9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol
GUM
GUM
表記:4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE
組成式:C26 H34 N2 O13
SMILES:O=C(NC4C(O)C(O)C(OC4OC3C(OC(Oc1cc2OC(=O)C=C(c2cc1)C)C(NC(=O)C)C3O)CO)CO)C
InChi:InChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
別名:4-METHYLUMBELLIFERYL CHITOBIOSE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:4-methyl-2-oxo-2H-chromen-7-yl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside
1BD
1BD
表記:3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid
組成式:C11 H10 F3 N O3
SMILES:FC(F)(F)c1ccccc1C=NOCCC(=O)O
InChi:InChI=1S/C11H10F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-18-6-5-10(16)17/h1-4,7H,5-6H2,(H,16,17)/b15-7+
別名:(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid
定義日:2009-03-27
最終更新日:2020-06-17
識別子（ID）:3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid
GW3
GW3
表記:7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE
組成式:C15 H19 N5
SMILES:n3c2ccc1c(ccn1C(CC)CC)c2c(nc3N)N
InChi:InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
別名:GW345
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:7-(1-ethylpropyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
GW6
GW6
表記:(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate
組成式:C27 H29 F3 O6 S
SMILES:O=C(SCF)C5(OC(=O)c1occc1)C4(C)CC(O)C3(F)C2(C=CC(=O)C=C2C(F)CC3C4CC5C)C
InChi:InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1
別名:Fluticasone furoate
定義日:2008-03-21
最終更新日:2020-06-17
識別子（ID）:(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl furan-2-carboxylate
1C1
1C1
表記:amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methanimi nium
組成式:C19 H20 Cl F N5 O2
SMILES:Clc1ccc(cc1F)NC(=O)C(=O)NC3c2ccccc2CC3CNC(=[NH2+])N
InChi:InChI=1S/C19H19ClFN5O2/c20-14-6-5-12(8-15(14)21)25-17(27)18(28)26-16-11(9-24-19(22)23)7-10-3-1-2-4-13(10)16/h1-6,8,11,16H,7,9H2,(H,25,27)(H,26,28)(H4,22,23,24)/p+1/t11-,16-/m1/s1
別名:[amino({[(1R,2R)-1-{[(4-chloro-3- fluorophenyl)carbamoyl]formamido}-2,3-dihydro-1H- inden-2-yl]methyl}amino)methylidene]azanium
定義日:2012-11-30
最終更新日:2020-06-17
公開日:2013-05-29
識別子（ID）:amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methaniminium
R18
R18
表記:(17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
組成式:C19 H24 O2
SMILES:O=C4C=C3C(=C2C=CC1(C(CCC1(O)C)C2CC3)C)CC4
InChi:InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
別名:METHYLTRIENOLONE
定義日:2000-06-15
最終更新日:2020-06-17
識別子（ID）:(17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one
1CA
1CA
表記:DESOXYCORTICOSTERONE
組成式:C21 H30 O3
SMILES:O=C4C=C2C(C1CCC3(C(C(=O)CO)CCC3C1CC2)C)(C)CC4
InChi:InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
別名:4-PREGNEN-21-OL-3,20-DIONE
定義日:2005-01-11
最終更新日:2020-06-17
識別子（ID）:(14beta)-21-hydroxypregn-4-ene-3,20-dione
1CD
1CD
表記:(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25 ),18,20-HEPTAENE-23,26-DIONE
組成式:C22 H21 N5 O3
SMILES:O=C5Nc3cccc4OC6CN(CCN2Nc1c(cccc1C2=O)C5=Nc34)C(C)C6
InChi:InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1
別名:5H,10H-17,19-(IMINOMETHANO)-4,6:9,12-DIMETHANODIBENZ[B,F][1,4,8,9,12]OXATETRAAZACYCLOPENTADECINE-20,23-DIONE,7,8,11,12- TETRAHYDRO-10-METHYL-,(10R,12S)
定義日:2006-06-21
最終更新日:2020-06-17
識別子（ID）:(13R,15S)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.1~6,9~.1~12,15~.0~2,7~.0~21,25~]heptacosa-1(24),2,4,6,17(25),18,20-heptaene-23,27-dione (non-preferred name)
19F
19F
表記:2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one
組成式:C27 H32 N4 O4
SMILES:O=C1c3c(nc(n3N=C(N1)Cc2ccc(OC)c(OC)c2)C(CCCc4ccccc4)C(O)C)C
InChi:InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1
別名:BAY60-7550
定義日:2012-11-08
最終更新日:2020-06-17
公開日:2013-08-28
識別子（ID）:2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one

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件を2025-07-09に公開中

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