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46D
46D
Name:(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-CARBOXY-TETRAHYDRO-4,5,6-TRIHYDROXY-2H-PYRAN-2-YLOXY)-HEXAHYDRO-6,7-DIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-2-CARBOXYLIC ACID)
Formula:C15 H22 O14
SMILES:O=C(O)C3OC(O)C(O)C(O)C3OC1OC2COC(OC2C(O)C1O)(C(=O)O)C
InChi:InChI=1S/C15H22O14/c1-15(14(23)24)25-2-3-8(29-15)5(17)7(19)13(26-3)28-9-4(16)6(18)12(22)27-10(9)11(20)21/h3-10,12-13,16-19,22H,2H2,1H3,(H,20,21)(H,23,24)/t3-,4-,5-,6-,7+,8-,9+,10+,12?,13+,15+/m1/s1
Synonyms:4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE-(1->
Definition date:2005-04-11
Last modified:2021-03-03
Identifier:4-O-{4,6-O-[(1S)-1-carboxyethylidene]-beta-D-mannopyranosyl}-beta-D-glucopyranuronic acid
PC1
PC1
Name:1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:C44 H88 N O8 P
SMILES:O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
Synonyms:3-SN-PHOSPHATIDYLCHOLINE
Definition date:2003-07-09
Last modified:2021-03-01
Identifier:(2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
TDL
TDL
Name:3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Formula:C15 H23 N4 O10 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(C(=O)O)C
InChi:InChI=1S/C15H22N4O10P2S/c1-8-11(4-5-28-31(26,27)29-30(23,24)25)32-13(15(3,22)14(20)21)19(8)7-10-6-17-9(2)18-12(10)16/h6,22H,4-5,7H2,1-3H3,(H5-,16,17,18,20,21,23,24,25,26,27)/p+1/t15-/m1/s1
Synonyms:2-LACTYLTHIAMIN DIPHOSPHATE
Definition date:2005-12-01
Last modified:2021-03-01
Identifier:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1S)-1-carboxy-1-hydroxyethyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
SYN
SYN
Name:ethenylbenzene
Formula:C8 H8
SMILES:C=Cc1ccccc1
InChi:InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
Synonyms:styrene
Definition date:2012-10-15
Last modified:2021-03-01
Release date:2013-05-01
Identifier:ethenylbenzene
ARR
ARR
Name:N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
Formula:C20 H20 Cl N3 S
SMILES:Clc1cccc(c1)CNCCc3ccc(NC(=[N@H])c2sccc2)cc3
InChi:InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)
Synonyms:N-(4-(2-((3-CHLOROPHENYLMETHYL)AMINO)ETHYL)PHENYL)-2-THIOPHECARBOXAMIDINE
Definition date:2004-02-18
Last modified:2021-03-01
Identifier:N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
TS2
TS2
Name:2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID
Formula:C27 H47 N9 O10 S2
SMILES:O=C(O)C(N)CCC(=O)NC1C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CSSC1
InChi:InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1
Synonyms:RING WITH GLUTATHIONE AND SPERMIDINE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) (non-preferred name)
TDS
TDS
Name:8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE
Formula:C25 H38 O5
SMILES:O=C1c2c(OC(=C1C)CCCCCCCCCCCCC)c(O)c(OC)cc2OC
InChi:InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-18(2)23(26)22-20(28-3)17-21(29-4)24(27)25(22)30-19/h17,27H,5-16H2,1-4H3
Synonyms:TRIDECYL-STIGMATELLIN
Definition date:2003-10-02
Last modified:2021-03-01
Identifier:8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4H-chromen-4-one
ZMG
ZMG
Name:(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one
Formula:C12 H13 F N2 O S
SMILES:Fc1ccccc1NC2=NC(=O)C(S2)C(C)C
InChi:InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1
Synonyms:(R)-2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-one
Definition date:2008-01-09
Last modified:2021-03-01
Identifier:(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one
ARX
ARX
Name:(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide
Formula:C28 H47 N15 O7
SMILES:O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCNC(=[N@H])N)CCCNC(=[N@H])N
InChi:InChI=1S/C28H47N15O7/c29-21-17-23(39-12-38-21)43(13-40-17)26-19(46)18(45)20(50-26)25(49)35-9-3-1-2-8-16(44)41-15(7-5-11-37-28(33)34)24(48)42-14(22(30)47)6-4-10-36-27(31)32/h12-15,18-20,26,45-46H,1-11H2,(H2,30,47)(H,35,49)(H,41,44)(H,42,48)(H2,29,38,39)(H4,31,32,36)(H4,33,34,37)/t14-,15-,18+,19-,20+,26-/m1/s1
Synonyms:ARC-1034
Definition date:2008-01-30
Last modified:2021-03-01
Identifier:(2S,3S,4R,5R)-N-(6-{[(2R)-1-{[(2R)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino}-5-carbamimidamido-1-oxopentan-2-yl]amino}-6-oxohexyl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
SKA
SKA
Name:7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE
Formula:C9 H9 Cl2 N
SMILES:Clc1c(Cl)ccc2c1CNCC2
InChi:InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
Synonyms:SK&F 64139
Definition date:2005-03-02
Last modified:2021-03-01
Identifier:7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
TDZ
TDZ
Name:(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE
Formula:C24 H27 N O5 S
SMILES:O=C1NC(=O)SC1Cc4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc4
InChi:InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24-/m1/s1
Synonyms:TROGLITAZONE
Definition date:2007-07-20
Last modified:2021-03-01
Identifier:(5R)-5-(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione
RCB
RCB
Name:4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside
Formula:C24 H35 N O18
SMILES:[O-][N+](=O)c4ccc(OC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)cc4
InChi:InChI=1S/C24H35NO18/c26-5-10-13(29)14(30)17(33)23(39-10)42-21-12(7-28)41-24(19(35)16(21)32)43-20-11(6-27)40-22(18(34)15(20)31)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1
Synonyms:p-nitrophenyl beta-D-cellotrioside
Definition date:2009-10-23
Last modified:2021-03-01
Identifier:4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside
RCC
RCC
Name:3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid
Formula:C35 H38 N4 O7
SMILES:O=C5C(C=C)=C(C(=CC4=N/C(=C2c1nc(c(c1C(=O)C2C(=O)OC)C)Cc3c(c(c(C=O)n3)C)CC)C(CCC(=O)O)C4C)N5)C
InChi:InChI=1S/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12,14,17,21,30,36,38H,2,8,10-11,13H2,1,3-7H3,(H,39,44)(H,41,42)/b23-12-,31-29-/t17-,21-,30+/m0/s1
Synonyms:Red chlorophyll catabolite
Definition date:2010-04-02
Last modified:2021-03-01
Identifier:3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid
VDM
VDM
Name:(1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL
Formula:C14 H25 N O8
SMILES:OC2C(NC1C=C(CO)C(O)C(O)C1O)CC(C(O)C2O)CO
InChi:InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1
Synonyms:VALIDOXYLAMINE
Definition date:2007-01-25
Last modified:2021-03-01
Identifier:(1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol
TE4
TE4
Name:Tetracaine
Formula:C15 H24 N2 O2
SMILES:O=C(OCCN(C)C)c1ccc(NCCCC)cc1
InChi:InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
Synonyms:2-(dimethylamino)ethyl 4-(butylamino)benzoate
Definition date:2014-02-11
Last modified:2021-03-01
Release date:2014-11-19
Identifier:2-(dimethylamino)ethyl 4-(butylamino)benzoate
S5P
S5P
Name:6-sulfanyluridine-5'-phosphate
Formula:C9 H13 N2 O9 P S
SMILES:O=C1NC(=O)N(C(S)=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H13N2O9PS/c12-4-1-5(22)11(9(15)10-4)8-7(14)6(13)3(20-8)2-19-21(16,17)18/h1,3,6-8,13-14,22H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,6-,7-,8-/m1/s1
Synonyms:6-mercaptouridine-5'-monophosphate
Definition date:2008-10-23
Last modified:2021-03-01
Identifier:6-sulfanyluridine 5'-(dihydrogen phosphate)
AS8
AS8
Name:ACETYLSULFATE
Formula:C2 H4 O5 S
SMILES:CC(=O)O[S](O)(=O)=O
InChi:InChI=1S/C2H4O5S/c1-2(3)7-8(4,5)6/h1H3,(H,4,5,6)
Synonyms:SULFO ETHANOATE
Definition date:2010-11-17
Last modified:2021-03-01
Identifier:sulfo ethanoate
PCO
PCO
Name:2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE
Formula:C11 H20 N2 O4 S
SMILES:O=C(NC=C/S)CCNC(=O)C(O)C(C)(C)CO
InChi:InChI=1S/C11H20N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h5-6,9,14,16,18H,3-4,7H2,1-2H3,(H,12,15)(H,13,17)/b6-5-/t9-/m0/s1
Synonyms:PANTOTHENOYLAMINOETHENETHIOL
Definition date:2002-10-01
Last modified:2021-03-01
Identifier:(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-{[(Z)-2-sulfanylethenyl]amino}propyl)butanamide
SKK
SKK
Name:N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Formula:C19 H25 N7 O2
SMILES:N#CC3N(C(=O)CNC(C)(C)CNC(=O)c1cn2nc(cc2nc1)C)CCC3
InChi:InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
Synonyms:Anagliptin
Definition date:2014-02-07
Last modified:2021-03-01
Release date:2015-07-15
Identifier:N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SKM
SKM
Name:(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID
Formula:C7 H10 O5
SMILES:O=C(O)C1=CC(O)C(O)C(O)C1
InChi:InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
Synonyms:SHIKIMATE
Definition date:2004-08-16
Last modified:2021-03-01
Identifier:(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
W8R
W8R
Name:5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE
Formula:C21 H28 N2 O3
SMILES:N1=C(OCC1C)c3ccc(OCCCCCCCc2onc(c2)C)cc3
InChi:InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m1/s1
Synonyms:COMPOUND I(R)
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:3-methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)isoxazole
SKP
SKP
Name:5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID
Formula:C10 H16 O14 P2
SMILES:O=C(O)C(OP(=O)(O)O)(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)C
InChi:InChI=1S/C10H16O14P2/c1-10(9(14)15,24-26(19,20)21)22-5-2-4(8(12)13)3-6(7(5)11)23-25(16,17)18/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1
Synonyms:5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-SHIKIMATE-3-PHOSPHATE
Definition date:2003-08-13
Last modified:2021-03-01
Identifier:(3R,4S,5R)-5-[(1S)-1-carboxy-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
VDY
VDY
Name:3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
Formula:C27 H44 O2
SMILES:OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)/C(=C)CC3
InChi:InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
Synonyms:25-HYDROXYVITAMIN D3
Definition date:2001-05-18
Last modified:2021-03-01
Identifier:(3S,5Z,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-3,25-diol
X2W
X2W
Name:N-ACETYL-L-GLUTAMYL 5-PHOSPHATE
Formula:C7 H12 N O8 P
SMILES:O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C
InChi:InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1
Synonyms:N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE
Definition date:2010-01-18
Last modified:2021-03-01
Identifier:N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline
TEF
TEF
Name:4-(2H-tetrazol-2-yl)-L-phenylalanine
Formula:C10 H11 N5 O2
SMILES:O=C(O)C(N)Cc1ccc(cc1)n2ncnn2
InChi:InChI=1S/C10H11N5O2/c11-9(10(16)17)5-7-1-3-8(4-2-7)15-13-6-12-14-15/h1-4,6,9H,5,11H2,(H,16,17)/t9-/m0/s1
Synonyms:p-(2-tetrazolyl)-phenylalanine
Definition date:2010-06-03
Last modified:2021-03-01
Identifier:4-(2H-tetrazol-2-yl)-L-phenylalanine

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數據於2025-11-26公開中

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