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G3Q
G3Q
Name:R-Talinolol
Formula:C20 H33 N3 O3
SMILES:CC(C)(C)NC[CH](O)COc1ccc(NC(=O)NC2CCCCC2)cc1
InChi:InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1
Synonyms:Talinolol
Definition date:2018-08-23
Last modified:2021-03-01
Release date:2019-07-03
Identifier:1-[4-[(2~{R})-3-(~{tert}-butylamino)-2-oxidanyl-propoxy]phenyl]-3-cyclohexyl-urea
G6M
G6M
Name:2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
Formula:C16 H19 Cl F N3 O4
SMILES:c1c(c(cc(c1)N2C(=O)OC(C2)CNC(CCl)=O)F)N3CCOCC3
InChi:InChI=1S/C16H19ClFN3O4/c17-8-15(22)19-9-12-10-21(16(23)25-12)11-1-2-14(13(18)7-11)20-3-5-24-6-4-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)/t12-/m0/s1
Synonyms:oxazolidinone antibiotic LZD-6
Definition date:2018-05-10
Last modified:2021-03-01
Release date:2019-03-20
Identifier:2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
DLP
DLP
Name:1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:C44 H80 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCC=C/CC=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCC=C/CC=C/CCCCC
InChi:InChI=1S/C44H80NO8P/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/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
Synonyms:DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE
Definition date:2002-05-13
Last modified:2021-03-01
Identifier:(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
DNQ
DNQ
Name:6,7-DINITROQUINOXALINE-2,3-DIONE
Formula:C8 H2 N4 O6
SMILES:[O-][N+](=O)C=2C(=CC1=NC(=O)C(=O)N=C1C=2)[N+]([O-])=O
InChi:InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H
Synonyms:DNQX
Definition date:2000-09-27
Last modified:2021-03-01
Identifier:6,7-dinitroquinoxaline-2,3-dione
DPV
DPV
Name:dodecyl 2-(trimethylammonio)ethyl phosphate
Formula:C17 H38 N O4 P
SMILES:CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
InChi:InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3
Synonyms:dodecylphosphocholine
Definition date:2009-12-09
Last modified:2021-03-01
Identifier:dodecyl 2-(trimethylazaniumyl)ethyl phosphate
DV1
DV1
Name:(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol
Formula:C10 H16 N2 O4 S
SMILES:OC[CH]1O[CH]2SC(=N[CH]2[CH](O)[CH]1O)NCC=C
InChi:InChI=1S/C10H16N2O4S/c1-2-3-11-10-12-6-8(15)7(14)5(4-13)16-9(6)17-10/h2,5-9,13-15H,1,3-4H2,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1
Synonyms:Propyleneaminothiazoline
Definition date:2015-10-21
Last modified:2021-03-01
Release date:2016-08-31
Identifier:(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
GJY
GJY
Name:methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate
Formula:C19 H34 F O2 P
SMILES:O=P(OC)(F)CCCCCCCCC=C/CC=C/C[C@H]=[C@H]CC
InChi:InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3/b5-4-,8-7-,11-10-/t23-/m0/s1
Synonyms:Methyl alpha-Linolenyl Fluorophosphonate (MLnFP)
Definition date:2018-05-24
Last modified:2021-03-01
Release date:2019-03-27
Identifier:methyl (S)-(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ylphosphonofluoridate
GKM
GKM
Name:1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:C39 H52 N6 O9 S
SMILES:C4CC(C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O)NC(OC7(C)CCCC7)=O
InChi:InChI=1S/C39H52N6O9S/c1-24-33(41-30-20-26(52-4)14-15-28(30)40-24)53-27-21-31-32(46)43-39(35(48)44-55(50,51)38(3)18-19-38)22-25(39)12-8-6-5-7-9-13-29(34(47)45(31)23-27)42-36(49)54-37(2)16-10-11-17-37/h8,12,14-15,20,25,27,29,31H,5-7,9-11,13,16-19,21-23H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,27-,29+,31+,39-/m1/s1
Synonyms:P4-3(AJ-74)
Definition date:2018-05-24
Last modified:2021-03-01
Release date:2019-07-31
Identifier:1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
GN0
GN0
Name:(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
Formula:C25 H23 Cl N2 O3 S2
SMILES:OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5
InChi:InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1
Synonyms:inhibitor GNE-140
Definition date:2015-05-19
Last modified:2021-03-01
Release date:2016-05-18
Identifier:(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
GPI
GPI
Name:(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE
Formula:C20 H28 N2 O4
SMILES:O=C(OCCCc1cccnc1)C2N(C(=O)C(=O)C(C)(C)CC)CCC2
InChi:InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1
Synonyms:GPI-1046
Definition date:2000-06-16
Last modified:2021-03-01
Identifier:3-pyridin-3-ylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)-L-prolinate
8MX
8MX
Name:1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:C21 H24 F N3 O3
SMILES:Cc1c(c(cc2c1N(C=C(C2=O)C(O)=O)C3CC3)F)N4CC5C(C4)CCCN5
InChi:InChI=1S/C21H24FN3O3/c1-11-18-14(20(26)15(21(27)28)9-25(18)13-4-5-13)7-16(22)19(11)24-8-12-3-2-6-23-17(12)10-24/h7,9,12-13,17,23H,2-6,8,10H2,1H3,(H,27,28)/t12-,17+/m0/s1
Synonyms:8-methyl-moxifloxacin
Definition date:2015-06-04
Last modified:2021-03-01
Release date:2016-03-02
Identifier:1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
AF0
AF0
Name:N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide
Formula:C20 H20 F4 N2 O3 S
SMILES:c1(c(c(c(c(c1F)F)C)F)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O
InChi:InChI=1S/C20H20F4N2O3S/c1-3-8-26-15-6-5-13(9-12(15)4-7-16(26)27)25-30(28,29)10-14-19(23)17(21)11(2)18(22)20(14)24/h5-6,9,25H,3-4,7-8,10H2,1-2H3
Synonyms:AMF4
Definition date:2017-05-15
Last modified:2021-03-01
Release date:2017-11-15
Identifier:N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide
ALE
ALE
Name:L-EPINEPHRINE
Formula:C9 H13 N O3
SMILES:Oc1ccc(cc1O)C(O)CNC
InChi:InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
Synonyms:ADRENALINE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
H8G
H8G
Name:N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea
Formula:C20 H26 N4 O
SMILES:CCN(CC)C(=O)NC3C=C2c4cccc1c4c(cn1)CC2N(C)C3
InChi:InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Synonyms:lisuride
Definition date:2018-06-15
Last modified:2021-03-01
Release date:2018-08-29
Identifier:N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea
H8H
H8H
Name:N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE
Formula:C27 H32 Cl N5 O5
SMILES:Clc2ccc1OCOc1c2Nc6ncnc5c6c(OC3CCOCC3)cc(OCCN4CCN(C)CC4)c5
InChi:InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)
Synonyms:SARACATINIB
Definition date:2006-06-14
Last modified:2021-03-01
Identifier:N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
H8J
H8J
Name:(8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
Formula:C21 H27 N3 O2
SMILES:CCC(CO)NC(=O)C3C=C2c4cccc1c4c(cn1C)CC2N(C)C3
InChi:InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
Synonyms:methysergide
Definition date:2018-06-15
Last modified:2021-03-01
Release date:2018-08-29
Identifier:(8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
H8M
H8M
Name:(1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
Formula:C21 H23 Cl N2 O2
SMILES:COc4ccc(CC1c2c(CCN1)c3cc(C)ccc3n2)c(c4OC)Cl
InChi:InChI=1S/C21H23ClN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3/t17-/m0/s1
Synonyms:LY266097
Definition date:2018-06-15
Last modified:2021-03-01
Release date:2018-08-29
Identifier:(1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
HBY
HBY
Name:(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE
Formula:C15 H20 N2 O3 S2
SMILES:S=C2Nc1c(cc(OC)cc1)N(C(=O)OC(C)C)C2CSC
InChi:InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1
Synonyms:HBY 097
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:1-methylethyl (2S)-7-methoxy-2-[(methylsulfanyl)methyl]-3-thioxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
HCE
HCE
Name:{(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine
Formula:C16 H24 N6 O3 S
SMILES:O=C(O)C(N)CCSCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:InChI=1S/C16H24N6O3S/c17-11(16(24)25)1-2-26-7-10-5-22(6-12(10)23)4-9-3-19-14-13(9)20-8-21-15(14)18/h3,8,10-12,19,23H,1-2,4-7,17H2,(H,24,25)(H2,18,20,21)/t10-,11+,12+/m1/s1
Synonyms:homocysteine-DADMe-Immucillin-A
Definition date:2012-05-11
Last modified:2021-03-01
Release date:2013-05-01
Identifier:{(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine
HFG
HFG
Name:7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
Formula:C16 H17 Br Cl N3 O3
SMILES:Brc3c(Cl)cc1c(N=CN(C1=O)CC(=O)CC2NCCCC2O)c3
InChi:InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1
Synonyms:Halofuginone
Definition date:2012-11-09
Last modified:2021-03-01
Release date:2012-12-28
Identifier:7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
2IW
2IW
Name:4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide
Formula:C26 H21 N3 O3
SMILES:O=C(Nc2c1nccc(c1ccc2)C)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O
InChi:InChI=1S/C26H21N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-12,16-17,21-22H,13H2,1H3,(H,28,30)/t16-,17+,21-,22+
Synonyms:IWR-2
Definition date:2012-03-06
Last modified:2021-03-01
Identifier:4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide
2P0
2P0
Name:1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline
Formula:C7 H13 N O10 P2
SMILES:O=C(N1C(C(=O)O)CCC1)COP(=O)(O)OP(=O)(O)O
InChi:InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/t5-/m0/s1
Synonyms:diphosphoglycolylproline
Definition date:2011-02-24
Last modified:2021-03-01
Identifier:1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline
2R4
2R4
Name:8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one
Formula:C25 H19 N O3 S
SMILES:O=C5c6cccc(c2cccc1c3c(sc12)cccc3)c6OC(N4CCOCC4)=C5
InChi:InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
Synonyms:NU7441
Definition date:2014-01-10
Last modified:2021-03-01
Release date:2014-03-05
Identifier:8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one
2R9
2R9
Name:N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide
Formula:C35 H46 Cl N5 O9 S
SMILES:O=C(N5C(C(=O)NC2(C(=O)NS(=O)(=O)C1CC1)CC2/C=C)CC(Oc3ncc(OC)c4c3cc(Cl)cc4)C5)C(NC(=O)OC(C)(C)C)C(C)(C)C
InChi:InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1
Synonyms:Asunaprevir
Definition date:2014-01-10
Last modified:2021-03-01
Release date:2014-03-26
Identifier:N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide
HM6
HM6
Name:4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
Formula:C10 H8 N4 O5
SMILES:O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O
InChi:InChI=1S/C10H8N4O5/c15-4-5-3-14(13-12-5)6-1-7(9(16)17)11-8(2-6)10(18)19/h1-3,15H,4H2,(H,16,17)(H,18,19)
Synonyms:HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID
Definition date:2012-09-13
Last modified:2021-03-01
Release date:2012-11-09
Identifier:4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyridine-2,6-dicarboxylic acid

223532

數據於2024-08-07公開中

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