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RHM
RHM
Name:DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE
Formula:C22 H27 N6 Rh
SMILES:N3=C6c1ccccc1c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C
InChi:InChI=1S/C14H8N2.C8H19N4.Rh/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16
Synonyms:RH(ME2TRIEN)PHI
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:[(2R,2'R)-N~1~,N~1~'-ethane-1,2-diyldipropane-1,2-diaminato(3-)-kappa~2~N,N'][phenanthrene-9,10-diiminato(2-)-kappa~2~N,N']rhodium(2+)
TXQ
TXQ
Name:1,2,5,8-tetrahydroxyanthracene-9,10-dione
Formula:C14 H8 O6
SMILES:O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O
InChi:InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
Synonyms:1,2,5,8-tetrahydroxy-anthraquinone
Definition date:2008-12-22
Last modified:2020-06-17
Identifier:1,2,5,8-tetrahydroxyanthracene-9,10-dione
RHN
RHN
Name:4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Formula:C15 H8 O6
SMILES:O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3
InChi:InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
Synonyms:Rhein
Definition date:2011-03-15
Last modified:2020-06-17
Identifier:4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
RHO
RHO
Name:TETRAMETHYLRHODAMINE-5-MALEIMIDE
Formula:C28 H25 N3 O5
SMILES:O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2CC=C(N(C)C)C=3)cc(cc4)N(C)C)c(C(=O)O)c5
InChi:InChI=1S/C28H25N3O5/c1-29(2)16-5-9-20-23(14-16)36-24-15-17(30(3)4)6-10-21(24)27(20)19-8-7-18(13-22(19)28(34)35)31-25(32)11-12-26(31)33/h5-9,11-15H,10H2,1-4H3,(H,34,35)
Synonyms:TMR
Definition date:2001-05-23
Last modified:2020-06-17
Identifier:2-[3,6-bis(dimethylamino)-1H-xanthen-9-yl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
T4F
T4F
Name:(2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid
Formula:C25 H46 N4 O5 S
SMILES:CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)N[S](=O)(=O)N[CH](CCCCN)C(O)=O
InChi:InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1
Synonyms:tafCPB
Definition date:2016-09-28
Last modified:2020-06-17
Release date:2016-10-26
Identifier:(2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid
SB6
SB6
Name:4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE
Formula:C18 H16 F N3
SMILES:Fc4ccc(c1ncn(c1c2ccncc2)CC3CC3)cc4
InChi:InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
Synonyms:SB216995
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
TXS
TXS
Name:1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Formula:C14 H21 N3 O4
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCC3
InChi:InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1
Synonyms:5'-deoxy-5'-pyrrolidin-1-ylthymidine
Definition date:2008-05-28
Last modified:2020-06-17
Identifier:1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
SQ
SQ
Name:3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE
Formula:C7 H12 N2 O2
SMILES:O=C1C(=O)C(NCC)C1NC
InChi:InChI=1S/C7H12N2O2/c1-3-9-5-4(8-2)6(10)7(5)11/h4-5,8-9H,3H2,1-2H3
Synonyms:SQUARIC ACID
Definition date:2002-08-13
Last modified:2020-06-17
Identifier:(3R,4S)-3-(ethylamino)-4-(methylamino)cyclobutane-1,2-dione
SB7
SB7
Name:[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL
Formula:C10 H15 N O2
SMILES:OCN(O)CCCc1ccccc1
InChi:InChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2
Synonyms:SB-485345
Definition date:2005-08-11
Last modified:2020-06-17
Identifier:[hydroxy(3-phenylpropyl)amino]methanol
DOG
DOG
Name:DIGOXIGENIN
Formula:C23 H34 O5
SMILES:O=C1OCC(=C1)C5C4(C(O)CC3C(CCC2CC(O)CCC23C)C4(O)CC5)C
InChi:InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
Synonyms:4-(3,12,14-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-5H-FURAN-2-ONE
Definition date:2002-05-06
Last modified:2020-06-17
Identifier:(3alpha,5beta,8alpha,12beta)-3,12,14-trihydroxycard-20(22)-enolide
SB9
SB9
Name:HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE
Formula:C10 H14 N2 O2
SMILES:O=CN(O)CCCc1nc(ccc1)C
InChi:InChI=1S/C10H14N2O2/c1-9-4-2-5-10(11-9)6-3-7-12(14)8-13/h2,4-5,8,14H,3,6-7H2,1H3
Synonyms:SB-505684
Definition date:2005-08-16
Last modified:2020-06-17
Identifier:N-hydroxy-N-[3-(6-methylpyridin-2-yl)propyl]formamide
TJE
TJE
Name:(2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
Formula:C24 H31 N2 O7 P
SMILES:O=C(O)C(CCc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)Cc2ccc(O)cc2)C
InChi:InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1
Synonyms:Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH
Definition date:2014-12-17
Last modified:2020-06-17
Release date:2016-01-20
Identifier:(2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
QPP
QPP
Name:N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE
Formula:C18 H15 N5
SMILES:n2c(Nc1nnc(c1)C)c4ccccc4nc2c3ccccc3
InChi:InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
Synonyms:5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE
Definition date:2006-12-19
Last modified:2020-06-17
Identifier:N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
TY0
TY0
Name:(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one
Formula:C14 H21 N O3
SMILES:O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1
InChi:InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)8-12(15)13(17)9-16/h4-7,12,16H,8-9,15H2,1-3H3/t12-/m0/s1
Synonyms:Z-Phe-Tyr(OBut)-COCHO
Definition date:2010-11-01
Last modified:2020-06-17
Identifier:(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one
R45
R45
Name:N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine
Formula:C29 H32 Br N4 O10 P
SMILES:O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc3onc(c2ccccc2)c3)CCC(=O)O
InChi:InChI=1S/C29H32BrN4O10P/c30-19-6-8-21(9-7-19)45(42,43)16-18(14-20-15-24(34-44-20)17-4-2-1-3-5-17)28(40)33-23(11-13-26(37)38)29(41)32-22(27(31)39)10-12-25(35)36/h1-9,15,18,22-23H,10-14,16H2,(H2,31,39)(H,32,41)(H,33,40)(H,35,36)(H,37,38)(H,42,43)/t18-,22+,23+/m1/s1
Synonyms:RXP470A
Definition date:2012-10-04
Last modified:2020-06-17
Release date:2013-02-01
Identifier:N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine
DOQ
DOQ
Name:(2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID
Formula:C15 H21 N O6
SMILES:O=C(O)C(/C=C/C=C(C1C(C(C(=O)O)NC1)CC(=O)O)C)C
InChi:InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1
Synonyms:(2S,3S,4S)-3-CARBOXYMETHYL-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-HEXA-1,3-DIENYL]-PYRROLIDINE-2-CARBOXYLIC ACID
Definition date:2005-01-14
Last modified:2020-06-17
Identifier:(3S,4S)-3-(carboxymethyl)-4-[(1Z,3E,5R)-5-carboxy-1-methylhexa-1,3-dien-1-yl]-L-proline
RI5
RI5
Name:(1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione
Formula:C15 H16 O6
SMILES:O=C3OC4C1OC(=O)C25OC5CC(O)(C12C)C3C4C(=C)/C
InChi:InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1
Synonyms:PICROTOXIN
Definition date:2011-04-15
Last modified:2020-06-17
Identifier:(1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione
R4B
R4B
Name:N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a lanyl-L-alaninamide
Formula:C31 H31 Br Cl N4 O6 P
SMILES:O=C(N)C(NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4)C)C
InChi:InChI=1S/C31H31BrClN4O6P/c1-18(29(34)38)35-30(39)19(2)36-31(40)23(17-44(41,42)27-12-10-24(32)11-13-27)15-26-16-28(37-43-26)21-8-6-20(7-9-21)22-4-3-5-25(33)14-22/h3-14,16,18-19,23H,15,17H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,41,42)/t18-,19-,23+/m0/s1
Synonyms:RXP470B
Definition date:2012-10-04
Last modified:2020-06-17
Release date:2013-02-01
Identifier:N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alanyl-L-alaninamide
PHU
PHU
Name:1-phenylurea
Formula:C7 H8 N2 O
SMILES:O=C(Nc1ccccc1)N
InChi:InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
Synonyms:Phenylurea
Definition date:2011-06-24
Last modified:2020-06-17
Identifier:1-phenylurea
4YP
4YP
Name:2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
Formula:C18 H25 N O3
SMILES:CC(=[C@H]CCC(=[C@H]CC=1C(C(=C(C(C=1C)=O)N)OC)=O)C)C
InChi:InChI=1S/C18H25NO3/c1-11(2)7-6-8-12(3)9-10-14-13(4)16(20)15(19)18(22-5)17(14)21/h7,9H,6,8,10,19H2,1-5H3/b12-9+
Synonyms:rhodoquinone-2
Definition date:2015-06-26
Last modified:2020-06-17
Release date:2015-08-05
Identifier:2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
R4C
R4C
Name:N-{(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alanyl-L-alaninamid e
Formula:C25 H28 Br N4 O6 P
SMILES:O=C(N)C(NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc3onc(c2ccccc2)c3)C)C
InChi:InChI=1S/C25H28BrN4O6P/c1-15(23(27)31)28-24(32)16(2)29-25(33)18(14-37(34,35)21-10-8-19(26)9-11-21)12-20-13-22(30-36-20)17-6-4-3-5-7-17/h3-11,13,15-16,18H,12,14H2,1-2H3,(H2,27,31)(H,28,32)(H,29,33)(H,34,35)/t15-,16-,18+/m0/s1
Synonyms:RXP470C
Definition date:2012-10-04
Last modified:2020-06-17
Release date:2013-02-01
Identifier:N-{(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alanyl-L-alaninamide
UQ8
UQ8
Name:Ubiquinone-8
Formula:C49 H74 O4
SMILES:O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+
Synonyms:2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-oc taen-1-yl]cyclohexa-2,5-diene-1,4-dione
Definition date:2008-08-21
Last modified:2020-06-17
Identifier:2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione
ZC0
ZC0
Name:Contezolid
Formula:C18 H15 F3 N4 O4
SMILES:C1C(C=CN(C1)c2c(F)cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O
InChi:InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1
Synonyms:MRX-I
Definition date:2020-04-29
Last modified:2020-06-17
Release date:2020-06-03
Identifier:1-{2,3,6-trifluoro-4-[(5S)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-2,3-dihydropyridin-4(1H)-one
UQ9
UQ9
Name:Ubiquinone-9
Formula:C54 H82 O4
SMILES:O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)C
InChi:InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24-,42-26+,43-28+,44-30+,45-32-,46-34+,47-36+,48-38+
Synonyms:2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18 ,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione
Definition date:2009-06-25
Last modified:2020-06-17
Identifier:2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione
PWK
PWK
Name:4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)
Formula:C20 H26 O4
SMILES:Oc1ccc(cc1OC)CC(C)C(C)Cc2ccc(O)c(OC)c2
InChi:InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1
Synonyms:Dihydroguaiaretic acid
Definition date:2014-04-02
Last modified:2020-06-17
Release date:2014-11-26
Identifier:4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)

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數據於2025-06-25公開中

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