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G6V
G6V
Name:2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
Formula:C16 H18 Cl2 F N3 O4
SMILES:c2(N1CC(CNC(=O)C(Cl)Cl)OC1=O)cc(c(cc2)N3CCOCC3)F
InChi:InChI=1S/C16H18Cl2FN3O4/c17-14(18)15(23)20-8-11-9-22(16(24)26-11)10-1-2-13(12(19)7-10)21-3-5-25-6-4-21/h1-2,7,11,14H,3-6,8-9H2,(H,20,23)/t11-/m0/s1
Synonyms:oxazolidinone antibiotic LZD-5
Definition date:2018-05-10
Last modified:2020-06-17
Release date:2019-03-20
Identifier:2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
W84
W84
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-/m0/s1
Synonyms:WIN I(S)
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:3-methyl-5-(7-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)isoxazole
G6X
G6X
Name:2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide
Formula:C29 H34 N2 O6 S
SMILES:O=C2c1ccccc1S(=O)(=O)N2CCCCCCN5Cc6c3c(OC4CC(O)C=CC34CC5)c(OC)cc6
InChi:InChI=1S/C29H34N2O6S/c1-36-23-11-10-20-19-30(17-14-29-13-12-21(32)18-25(29)37-27(23)26(20)29)15-6-2-3-7-16-31-28(33)22-8-4-5-9-24(22)38(31,34)35/h4-5,8-13,21,25,32H,2-3,6-7,14-19H2,1H3/t21-,25-,29-/m0/s1
Synonyms:2-[6-[(4aS,6R,8aS)-4a,5,9,10-tetrahydro-6-hydroxy-3-methoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl]-1,2- benzisothiazol-3(2H)-one 1,1-dioxide
Definition date:2009-07-10
Last modified:2020-06-17
Identifier:2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
W91
W91
Name:5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE
Formula:C16 H16 Cl2 N2 O3
SMILES:Clc3c(OCCCc1onc(c1)C)c(Cl)cc(C2=NCCO2)c3
InChi:InChI=1S/C16H16Cl2N2O3/c1-10-7-12(23-20-10)3-2-5-21-15-13(17)8-11(9-14(15)18)16-19-4-6-22-16/h7-9H,2-6H2,1H3
Synonyms:WIN56291
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:5-{3-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]propyl}-3-methylisoxazole
G8D
G8D
Name:[(2R,3S,4R,5R)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:C10 H15 N5 O12 P2
SMILES:NC1=NC2=C(NC(=O)N2[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1
InChi:InChI=1S/C10H15N5O12P2/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(26-8)1-25-29(23,24)27-28(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1
Synonyms:8-oxoguanosine-5'-diphosphate
Definition date:2016-06-17
Last modified:2020-06-17
Release date:2017-04-19
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
WAA
WAA
Name:(2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid
Formula:C31 H40 N2 O3
SMILES:CC(C)C1=CC2=CC[CH]3[C](C)(CCC[C]3(C)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(O)=O)[CH]2CC1
InChi:InChI=1S/C31H40N2O3/c1-19(2)20-10-12-24-21(16-20)11-13-27-30(24,3)14-7-15-31(27,4)29(36)33-26(28(34)35)17-22-18-32-25-9-6-5-8-23(22)25/h5-6,8-9,11,16,18-19,24,26-27,32H,7,10,12-15,17H2,1-4H3,(H,33,36)(H,34,35)/t24-,26-,27+,30+,31+/m0/s1
Synonyms:N-Abietoyl-L-Tryptophan
Definition date:2019-03-15
Last modified:2020-06-17
Release date:2020-03-18
Identifier:(2~{S})-2-[[(1~{R},4~{a}~{R},4~{b}~{R},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,4~{b},5,6,10,10~{a}-octahydrophenanthren-1-yl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid
G93
G93
Name:4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol
Formula:C21 H27 N7 O3
SMILES:n1onc(N)c1c2nc4c(n2CC)c(OCC3CCCNC3)cnc4C#CC(O)(C)C
InChi:InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
Synonyms:GSK690693
Definition date:2008-05-08
Last modified:2020-06-17
Identifier:4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3-yn-2-ol
G97
G97
Name:N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide
Formula:C20 H16 N6 O
SMILES:O=C(C=C)Nc2ccc1c(nc(nc1c2)c3ccccc3)Nc4nncc4
InChi:InChI=1S/C20H16N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
Synonyms:N-(4-(1H-pyrazol-3-ylamino)-2-phenylquinazolin-7-yl)acrylamide
Definition date:2009-06-16
Last modified:2020-06-17
Identifier:N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide
G9F
G9F
Name:2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
Formula:C21 H24 N4 O2
SMILES:CN(C)CCCOc1ccc(cc1)c2nc3cccc4C(=O)NCCn2c34
InChi:InChI=1S/C21H24N4O2/c1-24(2)12-4-14-27-16-9-7-15(8-10-16)20-23-18-6-3-5-17-19(18)25(20)13-11-22-21(17)26/h3,5-10H,4,11-14H2,1-2H3,(H,22,26)
Synonyms:1-[4-(3-Dimethylamino-propoxy)-phenyl]-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6
Definition date:2009-11-03
Last modified:2020-06-17
G9H
G9H
Name:2-[(dimethylamino)methyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
Formula:C13 H16 N4 O
SMILES:CN(C)Cc1nc2cccc3C(=O)NCCn1c23
InChi:InChI=1S/C13H16N4O/c1-16(2)8-11-15-10-5-3-4-9-12(10)17(11)7-6-14-13(9)18/h3-5H,6-8H2,1-2H3,(H,14,18)
Synonyms:1-Dimethylaminomethyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one
Definition date:2009-11-03
Last modified:2020-06-17
G9P
G9P
Name:(11bR)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid
Formula:C15 H11 N O5 S
SMILES:O[S](=O)(=O)c1ccc2Oc3cccc4C(=O)NC[CH](c2c1)c34
InChi:InChI=1S/C15H11NO5S/c17-15-9-2-1-3-13-14(9)11(7-16-15)10-6-8(22(18,19)20)4-5-12(10)21-13/h1-6,11H,7H2,(H,16,17)(H,18,19,20)/t11-/m1/s1
Synonyms:1,11b-Dihydro-[1]benzopyrano[4,3,2-de]isoquinolin-3(2H)-one-10-sulphonic acid
Definition date:2009-11-03
Last modified:2020-06-17
GA0
GA0
Name:GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE
Formula:C20 H24 N4 O3
SMILES:O=C(Nc2cc1ccccc1cc2)C3N(C(=O)C(NC(=O)CN)C)CCC3
InChi:InChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1
Synonyms:GLYCYL-ALANYL-PROLINE-BETA-NAPHTHYLAMIDE
Definition date:2006-01-16
Last modified:2020-06-17
Identifier:glycyl-L-alanyl-N-naphthalen-2-yl-L-prolinamide
GA3
GA3
Name:GIBBERELLIN A3
Formula:C19 H22 O6
SMILES:O=C(O)C5C21CC(O)(C(=C)C1)CCC2C34OC(=O)C(C)(C(O)C=C3)C45
InChi:InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
Synonyms:(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epo xymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
Definition date:2008-09-04
Last modified:2020-06-17
Identifier:(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
GAB
GAB
Name:3-AMINOBENZOIC ACID
Formula:C7 H7 N O2
SMILES:O=C(O)c1cc(N)ccc1
InChi:InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
Synonyms:GABACULINE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:3-aminobenzoic acid
GAJ
GAJ
Name:N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2 SULPHONAMIDE
Formula:C14 H9 N5 O4 S
SMILES:O=S(=O)(/N=C1/NN=NN1)c3cc2C(=O)c4c(Oc2cc3)cccc4
InChi:InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)
Synonyms:N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE
Definition date:2005-10-24
Last modified:2020-06-17
Identifier:N-(1,4-dihydro-5H-tetrazol-5-ylidene)-9-oxo-9H-xanthene-2-sulfonamide
GB5
GB5
Name:(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE
Formula:C9 H8 Cl N O2
SMILES:Clc1ccc(/C=C/C(=O)NO)cc1
InChi:InChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+
Synonyms:4-CHLOROCINNAMYLHYDROXAMATE
Definition date:2006-10-05
Last modified:2020-06-17
Identifier:(2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide
GBN
GBN
Name:[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID
Formula:C9 H17 N O2
SMILES:O=C(O)CC1(CN)CCCCC1
InChi:InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
Synonyms:GABAPENTIN
Definition date:2005-05-19
Last modified:2020-06-17
Identifier:[1-(aminomethyl)cyclohexyl]acetic acid
GC2
GC2
Name:6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE
Formula:C10 H18 N2 O4
SMILES:O=C(NC2C(O)C(O)C1N(CCC1O)C2)C
InChi:InChI=1S/C10H18N2O4/c1-5(13)11-6-4-12-3-2-7(14)8(12)10(16)9(6)15/h6-10,14-16H,2-4H2,1H3,(H,11,13)/t6-,7-,8+,9+,10+/m0/s1
Synonyms:N-[(1S,6S,7R,8R,8AR)-1,7,8-TRIHYDROXYOCTAHYDROINDOLIZIN-6-YL]ACETAMIDE
Definition date:2010-07-02
Last modified:2020-06-17
Identifier:N-[(1S,6S,7R,8R,8aR)-1,7,8-trihydroxyoctahydroindolizin-6-yl]acetamide
GCG
GCG
Name:BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE
Formula:C27 H49 N9 O10 S2
SMILES:O=C(NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CS)C(NC(=O)CCC(C(=O)O)N)CS
InChi:InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,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:TRYPANOTHIONE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(2S,7R,26R,31S)-2,31-diamino-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid (non-preferred name)
GCH
GCH
Name:GLYCOCHOLIC ACID
Formula:C26 H43 N O6
SMILES:O=C(O)CNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
InChi:InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
Synonyms:N-CHOLYLGLYCINE
Definition date:2000-03-09
Last modified:2020-06-17
Identifier:N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine
GCQ
GCQ
Name:GEMCITABINE DIPHOSPHATE
Formula:C9 H13 F2 N3 O10 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)(F)C2O
InChi:InChI=1S/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
Synonyms:((2R,3R,5R)-5-(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)-4,4-DIFLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL)METHYL TRIHYDROGEN DIPHOSPHATE
Definition date:2005-11-22
Last modified:2020-06-17
Identifier:2'-deoxy-2',2'-difluorocytidine 5'-(trihydrogen diphosphate)
GCY
GCY
Name:N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
Formula:C48 H93 N O8
SMILES:O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1
Synonyms:beta-Galactosylceramide, Ceramide beta-D-galactoside
Definition date:2011-08-25
Last modified:2020-06-17
Identifier:N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
GDE
GDE
Name:3,4,5-trihydroxybenzoic acid
Formula:C7 H6 O5
SMILES:O=C(O)c1cc(O)c(O)c(O)c1
InChi:InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
Synonyms:Gallate
Definition date:2011-11-08
Last modified:2020-06-17
Release date:2013-05-22
Identifier:3,4,5-trihydroxybenzoic acid
GDG
GDG
Name:GDP-ALPHA-D-GLUCOSE
Formula:C16 H25 N5 O16 P2
SMILES:C1(C(O)C(C(C(O1)CO)O)O)OP(OP(OCC4C(C(C(n2cnc3c2NC(=NC3=O)N)O4)O)O)(O)=O)(O)=O
InChi:InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14-,15-/m1/s1
Synonyms:GDP-ALPHA-D-GLUCOSE
Definition date:2006-09-05
Last modified:2020-06-17
Release date:2017-06-21
Identifier:[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
GDT
GDT
Name:(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide
Formula:C27 H44 N4 O6
SMILES:O=C(C=CC=CCCCCCCC)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCC(O)C1)C)C(O)C
InChi:InChI=1S/C27H44N4O6/c1-4-5-6-7-8-9-10-11-12-13-24(35)31-25(20(3)32)27(37)30-22-18-21(33)16-17-28-23(34)15-14-19(2)29-26(22)36/h10-15,19-22,25,32-33H,4-9,16-18H2,1-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)/b11-10+,13-12+,15-14+/t19-,20+,21-,22-,25-/m0/s1
Synonyms:Glidobactin A
Definition date:2007-11-20
Last modified:2020-06-17
Identifier:(2E,4E)-N-[(1S,2R)-2-hydroxy-1-{[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]dodeca-2,4-dienamide

222624

數據於2024-07-17公開中

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