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IMG
IMG
Name:1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL
Formula:C11 H15 N5 O4
SMILES:O=C1NC(=Nc2c1ncc2C3NC(CO)C(O)C3O)N
InChi:InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1
Synonyms:IMMUCILLIN-G
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
IMU
IMU
Name:PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER
Formula:C11 H16 N5 O7 P
SMILES:O=P(OCC3NC(c2c1N=C(N)NC(=O)c1nc2)C(O)C3O)(O)O
InChi:InChI=1S/C11H16N5O7P/c12-11-15-5-3(1-13-7(5)10(19)16-11)6-9(18)8(17)4(14-6)2-23-24(20,21)22/h1,4,6,8-9,13-14,17-18H,2H2,(H2,20,21,22)(H3,12,15,16,19)/t4-,6+,8-,9+/m1/s1
Synonyms:MODIFIED QUANOSINE-5-PHOSPHATE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:[(2R,3R,4S,5S)-5-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl dihydrogen phosphate
IN9
IN9
Name:2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE
Formula:C13 H10 F5 N5 O2 S2
SMILES:O=C(Nc1nnc(S)s1)NC(C(=O)NC)Cc2c(F)c(F)c(F)c(F)c2F
InChi:InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1
Synonyms:PNU-142372
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:2,3,4,5,6-pentafluoro-N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide
BRH
BRH
Name:(S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID
Formula:C6 H7 Br N2 O4
SMILES:Brc1c(onc1O)CC(C(=O)O)N
InChi:InChI=1S/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
Synonyms:BR-HIBO
Definition date:2002-07-11
Last modified:2021-03-01
Identifier:3-(4-bromo-3-hydroxyisoxazol-5-yl)alanine
INR
INR
Name:2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID
Formula:C16 H10 N2 O5 S
SMILES:O=S(=O)(O)c1cc2c(cc1)NC(=O)C/2=C4C(=O)c3ccccc3N4
InChi:InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13-
Synonyms:INDIRUBIN-5-SULPHONATE
Definition date:2000-10-17
Last modified:2021-03-01
Identifier:(2Z)-2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid
BSP
BSP
Name:3,3'-(4,5,6,7-TETRABROMO-3-OXO-1(3H)-ISOBENZOFURANYLIDENE)BIS [6-HYDROXYBENZENESULFONIC ACID]ANION
Formula:C20 H8 Br4 O10 S2
SMILES:[O-]S(=O)(=O)c1c(O)ccc(c1)C3(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S([O-])(=O)=O
InChi:InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)/p-2
Synonyms:BROMOSULFALEIN
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate)
BTX
BTX
Name:((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE
Formula:C20 H30 N7 O8 P S
SMILES:O=C1NC2C(SCC2N1)CCCCCOP(=O)(O)OCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O
InChi:InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/t10-,11+,12-,13-,15+,16+,19+/m0/s1
Synonyms:BIOTINOL-5-AMP
Definition date:2005-12-05
Last modified:2021-03-01
Identifier:5'-O-[(R)-hydroxy({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}oxy)phosphoryl]adenosine
JZ5
JZ5
Name:(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
Formula:C5 H5 N O S
SMILES:ON=Cc1sccc1
InChi:InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4-
Synonyms:(Z)-thiophene-2-carboxaldoxime
Definition date:2009-06-16
Last modified:2021-03-01
Identifier:(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
AA2
AA2
Name:4-ARYL-2-PHENYLAMINO PYRIMIDINE
Formula:C25 H30 Cl N5 O
SMILES:Clc1c(nc(nc1)Nc2ccc(cc2)CCN3CCOCC3)c4ccc(cc4)C(N)(C)C
InChi:InChI=1S/C25H30ClN5O/c1-25(2,27)20-7-5-19(6-8-20)23-22(26)17-28-24(30-23)29-21-9-3-18(4-10-21)11-12-31-13-15-32-16-14-31/h3-10,17H,11-16,27H2,1-2H3,(H,28,29,30)
Synonyms:4-[4-(1-AMINO-1-METHYLETHYL)PHENYL]-5-CHLORO-N-[4-(2-MORPHOLIN-4-YLETHYL)PHENYL]PYRIMIDIN-2-AMINE
Definition date:2003-03-24
Last modified:2021-03-01
Identifier:4-[4-(1-amino-1-methylethyl)phenyl]-5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine
JZP
JZP
Name:(4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Formula:C33 H35 Cl2 N3 O6 S
SMILES:O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(Cl)cccc3Cl)Cc4ccccc4)CSC5(C)C
InChi:InChI=1S/C33H35Cl2N3O6S/c1-33(2)30(31(42)37-27-21-12-7-6-11-20(21)16-25(27)39)38(18-45-33)32(43)28(41)24(15-19-9-4-3-5-10-19)36-26(40)17-44-29-22(34)13-8-14-23(29)35/h3-14,24-25,27-28,30,39,41H,15-18H2,1-2H3,(H,36,40)(H,37,42)/t24-,25+,27-,28-,30+/m0/s1
Synonyms:KNI-10074
Definition date:2009-10-23
Last modified:2021-03-01
Identifier:(4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
AAI
AAI
Name:trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium
Formula:C16 H22 N4 O
SMILES:O=C(N)c1cccc2nc(nc12)C3CCN(CCC)CC3
InChi:InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19)
Synonyms:2-(1-Propyl-piperidin-4-yl)-1H-benzoimidazole-4-carboxylic acid amide
Definition date:2007-10-18
Last modified:2021-03-01
Identifier:2-(1-propylpiperidin-4-yl)-1H-benzimidazole-7-carboxamide
AAY
AAY
Name:8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHYL]METHYL}-6-OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-METHYLBUTANOATE
Formula:C37 H49 N O6
SMILES:O=C(OC1C2C(=CC(C)C1)C=CC(C)C2CCC3N(C(=O)CC(O)C3)Cc4ccc5c(c4)ccc(OC)c5CO)C(C)CC
InChi:InChI=1S/C37H49NO6/c1-6-23(3)37(42)44-34-16-22(2)15-27-9-7-24(4)30(36(27)34)13-11-28-18-29(40)19-35(41)38(28)20-25-8-12-31-26(17-25)10-14-33(43-5)32(31)21-39/h7-10,12,14-15,17,22-24,28-30,34,36,39-40H,6,11,13,16,18-21H2,1-5H3/t22-,23-,24-,28-,29+,30-,34-,36-/m0/s1
Synonyms:LFA703
Definition date:2004-09-07
Last modified:2021-03-01
Identifier:(1S,3R,7S,8S,8aR)-8-{2-[(2S,4R)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methyl}-6-oxopiperidin-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate
AB0
AB0
Name:3,7:6,10:9,14-TRIANHYDRO-2,5,11,12,13-PENTADEOXY-4-O-(METHOXYMETHYL)-L-ARABINO-L-ALLO-TETRADEC-12-ENONIC ACID
Formula:C16 H24 O8
SMILES:O=C(O)CC2OC1C(O)C3OCC=CCC3OC1CC2OCOC
InChi:InChI=1S/C16H24O8/c1-20-8-22-10-6-12-16(24-11(10)7-13(17)18)14(19)15-9(23-12)4-2-3-5-21-15/h2-3,9-12,14-16,19H,4-8H2,1H3,(H,17,18)/t9-,10-,11+,12+,14+,15-,16+/m0/s1
Synonyms:CIGUATOXIN ABC RING FRAGMENT
Definition date:2006-11-21
Last modified:2021-03-01
Identifier:3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-O-(methoxymethyl)-L-arabino-L-allo-tetradec-12-enonic acid
K0X
K0X
Name:(7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide
Formula:C24 H34 F N7 O2
SMILES:C1CCCNC(=O)C(N)CCCCNc2c(cnc(NCC1)n2)C(=O)NCc3ccc(cc3)F
InChi:InChI=1S/C24H34FN7O2/c25-18-10-8-17(9-11-18)15-30-22(33)19-16-31-24-29-14-5-2-1-4-13-28-23(34)20(26)7-3-6-12-27-21(19)32-24/h8-11,16,20H,1-7,12-15,26H2,(H,28,34)(H,30,33)(H2,27,29,31,32)/t20-/m0/s1
Synonyms:UNC2541
Definition date:2016-05-20
Last modified:2021-03-01
Release date:2017-02-22
Identifier:(7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide
ABM
ABM
Name:METHYL PHOSPHONIC ACID ADENOSINE ESTER
Formula:C11 H16 N5 O6 P
SMILES:O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C
InChi:InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
Synonyms:ALPHA-METHYLENE ADENOSINE MONOPHOSPHATE
Definition date:1999-12-16
Last modified:2021-03-01
Identifier:5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine
AD4
AD4
Name:(3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL 12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE
Formula:C47 H75 N O14
SMILES:O=C(OC(C)(C)C)NCCCCCCCCCCCC(=O)OC2CC(OC(=O)C)(C1C(=C(C(OC(=O)C(=C/C)C)C1OC(=O)CCCCCCC)C)C3OC(=O)C(O)(C)C23O)C
InChi:InChI=1S/C47H75NO14/c1-11-13-14-20-23-27-35(51)58-39-37-36(31(4)38(39)59-41(52)30(3)12-2)40-47(56,46(10,55)42(53)60-40)33(29-45(37,9)61-32(5)49)57-34(50)26-24-21-18-16-15-17-19-22-25-28-48-43(54)62-44(6,7)8/h12,33,37-40,55-56H,11,13-29H2,1-10H3,(H,48,54)/b30-12-/t33-,37+,38-,39-,40-,45-,46+,47+/m0/s1
Synonyms:((((3'-DEOXY-3'-THYMIDINYL)-AMINO)CARBONYL)METHYL)
Definition date:2006-10-19
Last modified:2021-03-01
Identifier:(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate
ADK
ADK
Name:3-METHYL-3H-PURIN-6-YLAMINE
Formula:C6 H7 N5
SMILES:N=1C2=C(N=CN(C2=NC=1)C)N
InChi:InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3
Synonyms:3-METHYLADENINE
Definition date:2003-05-06
Last modified:2021-03-01
Identifier:3-methyl-3H-purin-6-amine
ADL
ADL
Name:(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
Formula:C16 H12 O5
SMILES:O=C(O)Cc3c(O)c2C(=O)c1c(O)cccc1Cc2cc3
InChi:InChI=1S/C16H12O5/c17-11-3-1-2-8-6-9-4-5-10(7-12(18)19)15(20)14(9)16(21)13(8)11/h1-5,17,20H,6-7H2,(H,18,19)
Synonyms:ACETYL DITHRANOL
Definition date:2002-12-12
Last modified:2021-03-01
Identifier:(1,8-dihydroxy-9-oxo-9,10-dihydroanthracen-2-yl)acetic acid
ADU
ADU
Name:3'-DEOXY-3'-ACETAMIDO-URIDINE
Formula:C11 H15 N3 O6
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(NC(=O)C)C2O)CO
InChi:InChI=1S/C11H15N3O6/c1-5(16)12-8-6(4-15)20-10(9(8)18)14-3-2-7(17)13-11(14)19/h2-3,6,8-10,15,18H,4H2,1H3,(H,12,16)(H,13,17,19)/t6-,8-,9?,10-/m1/s1
Synonyms:((((3'-DEOXY-3'-URIDINYL)-AMINO)CARBONYL)METHYL)
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:3'-(acetylamino)-3'-deoxyuridine
AET
AET
Name:N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)METHYLCARBAMOYL]THREONINE-5'-MONOPHOSPHATE
Formula:C16 H23 N6 O11 P
SMILES:O=C(O)C(NC(=O)N(c3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C)C(O)C
InChi:InChI=1S/C16H23N6O11P/c1-6(23)8(15(26)27)20-16(28)21(2)12-9-13(18-4-17-12)22(5-19-9)14-11(25)10(24)7(33-14)3-32-34(29,30)31/h4-8,10-11,14,23-25H,3H2,1-2H3,(H,20,28)(H,26,27)(H2,29,30,31)/t6-,7-,8+,10-,11-,14-/m1/s1
Synonyms:N-(NEBULARIN-6-YL-METHYLCARBAMOYL)-L-THREONINE-5'-MONOPHOSPHATE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)(methyl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)
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
AF9
AF9
Name:5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide
Formula:C14 H19 N5 O4 S
SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1[S](N)(=O)=O
InChi:InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)
Synonyms:AF-219
Definition date:2017-12-05
Last modified:2021-03-01
Release date:2018-04-04
Identifier:5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide
AFB
AFB
Name:1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-4-ONE
Formula:C16 H24 O4
SMILES:O=C1OC(CCCC=CC2C(C(O)C=C1)CC(O)C2)C
InChi:InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1
Synonyms:BREFELDIN A
Definition date:2003-11-12
Last modified:2021-03-01
Identifier:(1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one
K5Y
K5Y
Name:salmeterol
Formula:C25 H37 N O4
SMILES:c1c(cccc1)CCCCOCCCCCCNCC(O)c2cc(c(cc2)O)CO
InChi:InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/t25-/m0/s1
Synonyms:2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]phenol
Definition date:2018-11-01
Last modified:2021-03-01
Release date:2018-11-14
Identifier:2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]phenol
K6H
K6H
Name:(2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid
Formula:C6 H5 Cl O4
SMILES:O=C1OC(C=C1)C(Cl)C(=O)O
InChi:InChI=1S/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)/t3-,5+/m1/s1
Synonyms:5-CHLOROMUCONOLACTONE
Definition date:2013-02-20
Last modified:2021-03-01
Release date:2013-03-06
Identifier:(2S)-chloro[(2R)-5-oxo-2,5-dihydrofuran-2-yl]ethanoic acid

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数据于2025-07-09公开中

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