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TB1
TB1
表記:(3S)-3-(BENZYLOXY)-L-ASPARTIC ACID
組成式:C11 H13 N O5
SMILES:O=C(O)C(N)C(OCc1ccccc1)C(=O)O
InChi:InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
別名:D,L-THREO-BENZYLOXYASPARTATE
定義日:2007-01-15
最終更新日:2020-06-17
識別子（ID）:(3S)-3-(benzyloxy)-L-aspartic acid
TBN
TBN
表記:'2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
組成式:C11 H14 N4 O4
SMILES:OCC3OC(n2ccc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1
別名:7-DEAZAADENOSINE
定義日:2003-06-23
最終更新日:2020-06-17
識別子（ID）:7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
TBO
TBO
表記:5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE
組成式:C16 H20 Cl N3 S
SMILES:S=C2Nc1ccc(Cl)c3c1N2CC(N(C3)CC=C(/C)C)C
InChi:InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1
別名:TBO 8
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(5S)-8-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
4R8
4R8
表記:(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid
組成式:C22 H32 O3
SMILES:O=C(C/C=C/CCC=C/CC=C/CC=C/CC=C/CC)CCC(=O)O
InChi:InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,17-16+
別名:4-OXODOCOSAHEXAENOIC ACID
定義日:2008-06-02
最終更新日:2020-06-17
識別子（ID）:(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid
TBS
TBS
表記:4,5,6,7-TETRABROMOBENZOTRIAZOLE
組成式:C6 H Br4 N3
SMILES:Brc2c1c(nnn1)c(Br)c(Br)c2Br
InChi:InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
別名:TETRABROMO-2-BENZOTRIAZOLE
定義日:2001-05-31
最終更新日:2020-06-17
識別子（ID）:4,5,6,7-tetrabromo-1H-benzotriazole
TBU
TBU
表記:TERTIARY-BUTYL ALCOHOL
組成式:C4 H10 O
SMILES:OC(C)(C)C
InChi:InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
別名:2-METHYL-2-PROPANOL
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:2-methylpropan-2-ol
TBV
TBV
表記:3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL -2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID
組成式:C37 H46 N4 O6
SMILES:Cc1c(Cc2[nH]c(OC(C)(C)C)c(C)c2C=C)[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
InChi:InChI=1S/C37H46N4O6/c1-10-23-22(6)36(47-37(7,8)9)41-30(23)17-28-21(5)26(13-15-34(44)45)32(39-28)18-31-25(12-14-33(42)43)20(4)27(38-31)16-29-19(3)24(11-2)35(46)40-29/h10-11,16,38-39,41H,1-2,12-15,17-18H2,3-9H3,(H,40,46)(H,42,43)(H,44,45)/b29-16-
別名:BILIVERDIN
定義日:2009-03-19
最終更新日:2020-06-17
識別子（ID）:3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
TBX
TBX
表記:(3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
組成式:C16 H22 Cl N3 O
SMILES:CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2
InChi:InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1
別名:(S)-tebuconazole
定義日:2015-10-20
最終更新日:2020-06-17
公開日:2016-02-10
識別子（ID）:(3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
TBZ
TBZ
表記:2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE
組成式:C32 H29 N8 O
SMILES:O(c1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)c6nc7c(n6)cc(cc7)N8CCC(C8)[NH3+])C
InChi:InChI=1S/C32H28N8O/c1-41-23-7-2-18(3-8-23)30-34-24-9-4-19(14-27(24)37-30)31-35-25-10-5-20(15-28(25)38-31)32-36-26-11-6-22(16-29(26)39-32)40-13-12-21(33)17-40/h2-11,14-16,21H,12-13,17,33H2,1H3,(H,34,37)(H,35,38)(H,36,39)/p+1/t21-/m0/s1
別名:TRIBIZ
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(3S)-1-[2''-(4-methoxyphenyl)-1H,3'H,3''H-2,5':2',5''-terbenzimidazol-6-yl]pyrrolidin-3-aminium
TCK
TCK
表記:N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
組成式:C14 H21 Cl N2 O3 S
SMILES:O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C
InChi:InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1
別名:Tos-Lys-CH2Cl
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide
4ST
4ST
表記:1,2,3,4-TETRAHYDROGEN-STAUROSPORINE
組成式:C28 H30 N4 O3
SMILES:O=C4NCc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8
InChi:InChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,17,20,26,29H,4,6,8,10,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
別名:AFN941
定義日:2005-03-14
最終更新日:2020-06-17
識別子（ID）:(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13,15,16-decahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
TDM
TDM
表記:2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
組成式:C14 H22 N4 O8 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCC=1SC(=C(O)C)N(C=1C)Cc2cnc(nc2N)C
InChi:InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/b14-9+
別名:2-HYDROXYETHYLTHIAMIN DIPHOSPHATE
定義日:2005-12-01
最終更新日:2020-06-17
識別子（ID）:2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate
TDU
TDU
表記:1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea
組成式:C15 H18 N4 O S
SMILES:O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2
InChi:InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)
別名:1-(benzo[d][1,2,3]thiadiazol-6-yl)-3-(2-cyclohexenylethyl)urea
定義日:2011-07-07
最終更新日:2020-06-17
識別子（ID）:1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea
B8F
B8F
表記:(5beta)-3-oxours-12-en-28-oic acid
組成式:C30 H46 O3
SMILES:C1C(=O)C(C3C(C1)(C2CC=C4C(C2(C)CC3)(CCC5(C4C(C(CC5)C)C)C(=O)O)C)C)(C)C
InChi:InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1
別名:Ursonic acid
定義日:2019-01-22
最終更新日:2020-06-17
公開日:2020-01-15
識別子（ID）:(5beta)-3-oxours-12-en-28-oic acid
TEJ
TEJ
表記:(1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one
組成式:C27 H38 O4
SMILES:O=C/4OC(CC(C3C2(C)C(C(=CC=C1/C(=C)C(O)CC(O)C1)CCC2)CC3)C)CC4=C
InChi:InChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21+,22-,23+,24-,25-,27+/m0/s1
別名:(23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone
定義日:2009-05-21
最終更新日:2020-06-17
識別子（ID）:(1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one
TER
TER
表記:N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE
組成式:C10 H26 N4
SMILES:N(CCCCN)CCCNCCCN
InChi:InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2
別名:THERMOSPERMINE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:N-{3-[(3-aminopropyl)amino]propyl}butane-1,4-diamine
TG1
TG1
表記:OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER
組成式:C34 H50 O12
SMILES:O=C3OC2C1=C(C(OC(=O)C(=C/C)C)C(OC(=O)CCCCCCC)C1C(OC(=O)C)(CC(OC(=O)CCC)C2(O)C3(O)C)C)C
InChi:InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1
別名:THAPSIGARGIN
定義日:2002-05-30
最終更新日:2020-06-17
識別子（ID）:(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate
TGF
TGF
表記:2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM INO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID
組成式:C30 H37 N9 O13
SMILES:O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C=O)CCC(=O)O
InChi:InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17-,18-,19-/m0/s1
別名:TRIGLU-5-FORMYL-TETRAHYDROFOLATE
定義日:2002-12-02
最終更新日:2020-06-17
識別子（ID）:N-{[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid
BAI
BAI
表記:(5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE
組成式:C16 H14 N6
SMILES:[N@H]=C(c4ccc1c(nc(n1)Cc2nc3ccccc3n2)c4)N
InChi:InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
別名:HEMI-BABIM
定義日:1999-08-02
最終更新日:2020-06-17
識別子（ID）:2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole-5-carboximidamide
BAT
BAT
表記:4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE
組成式:C23 H31 N3 O4 S2
SMILES:O=C(NC)C(NC(=O)C(C(C(=O)NO)CSc1sccc1)CC(C)C)Cc2ccccc2
InChi:InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
別名:BATIMASTAT
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide
TGS
TGS
表記:1-deoxy-D-xylo-hex-3-ulose
組成式:C6 H12 O5
SMILES:CC(O)C(C(C(CO)O)O)=O
InChi:InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1
別名:1-deoxy 3-keto-D-galactitol
定義日:2015-03-27
最終更新日:2020-06-17
公開日:2016-03-23
識別子（ID）:1-deoxy-D-xylo-hex-3-ulose
TGT
TGT
表記:TAGETITOXIN
組成式:C11 H17 N2 O11 P S
SMILES:O=C(N)C1(O)SCC2(OC1C(OC(=O)C)C(N)C2OP(=O)(O)O)C(=O)O
InChi:InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1
別名:(1R,4R,5R,6R,7S,8R)-6-ACETOXY-7-AMINO-4-CARBAMOYL-4-HYDROXY-8-(PHOSPHONOOXY)-9-OXA-3-THIABICYCLO[3.3.1]NONANE-1-CARBOXY LIC ACID
定義日:2005-11-01
最終更新日:2020-06-17
識別子（ID）:(1R,4R,5R,6R,7S,8R)-6-(acetyloxy)-7-amino-4-carbamoyl-4-hydroxy-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid (non-preferred name)
BAV
BAV
表記:(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione
組成式:C29 H49 N3 O3
SMILES:O=C2NC(C(O)CNCc1cccc(c1)C(C)C)CC(C)CCCCCCCCC(=O)N(C)C2C
InChi:InChI=1S/C29H49N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h12,14-15,18,21-23,26-27,30,33H,6-11,13,16-17,19-20H2,1-5H3,(H,31,35)/t22-,23+,26+,27-/m1/s1
別名:(3S,14R,16S)-16-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-3,4,14-trimethyl-1,4diaza-cyclohexadecane-2,5-dione
定義日:2008-07-21
最終更新日:2020-06-17
識別子（ID）:(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
BAX
BAX
表記:4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE
組成式:C21 H16 Cl F3 N4 O3
SMILES:O=C(c3nccc(Oc2ccc(NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)cc2)c3)NC
InChi:InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
別名:Sorafenib
定義日:2004-02-05
最終更新日:2020-06-17
識別子（ID）:4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide
TH7
TH7
表記:2,4-dihydroxybenzenesulfenic acid
組成式:C6 H6 O3 S
SMILES:OSc1ccc(O)cc1O
InChi:InChI=1S/C6H6O3S/c7-4-1-2-6(10-9)5(8)3-4/h1-3,7-9H
別名:4-HYDROXYSULFANYLBENZENE-1,3-DIOL
定義日:2009-12-22
最終更新日:2020-06-17
識別子（ID）:4-hydroxysulfanylbenzene-1,3-diol

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