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DRL
DRL
Name:2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one
Formula:C8 H10 N2 O S
SMILES:O=C1C2=C(N=C(N1)C)CCSC2
InChi:InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
Definition date:2008-01-31
Last modified:2011-06-04
Identifier:2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one
DRV
DRV
Name:[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate
Formula:C12 H17 N7 O7 S
SMILES:O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CN
InChi:InChI=1S/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9+,12+/m0/s1
Definition date:2008-09-25
Last modified:2011-06-04
Identifier:[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate
DSK
DSK
Name:(2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name)
Formula:C12 H25 O9 S
SMILES:OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C12H25O9S/c13-1-5(15)10(19)12(21)11(20)7(17)4-22-3-6(16)9(18)8(22)2-14/h5-21H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,12+,22-/m0/s1
Definition date:2010-01-07
Last modified:2011-06-04
Identifier:(2S,3R,4R,5S,6S)-7-[(1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]heptane-1,2,3,4,5,6-hexol
6IG
6IG
Name:6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE
Formula:C27 H35 N5 O
SMILES:n3c(c(c1ccc2c(c1)N(CCC2)CCCOC)c(nc3N)NCCc4ccccc4)CC
InChi:InChI=1S/C27H35N5O/c1-3-23-25(26(31-27(28)30-23)29-15-14-20-9-5-4-6-10-20)22-13-12-21-11-7-16-32(24(21)19-22)17-8-18-33-2/h4-6,9-10,12-13,19H,3,7-8,11,14-18H2,1-2H3,(H3,28,29,30,31)
Definition date:2006-02-27
Last modified:2011-06-04
Identifier:6-ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]-N~4~-(2-phenylethyl)pyrimidine-2,4-diamine
DSU
DSU
Name:((2R,3S,4S,5S)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-2-YL)METHYL NONANOATE
Formula:C22 H40 O12
SMILES:O=C(OCC2OC(OC1OC(OC)C(O)C(O)C1O)(CO)C(O)C2O)CCCCCCCCC
InChi:InChI=1S/C22H40O12/c1-3-4-5-6-7-8-9-10-14(24)31-11-13-15(25)19(29)22(12-23,33-13)34-21-18(28)16(26)17(27)20(30-2)32-21/h13,15-21,23,25-29H,3-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,20-,21-,22+/m1/s1
Definition date:2005-12-29
Last modified:2011-06-04
Identifier:[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-2-yl]methyl decanoate (non-preferred name)
DTP
DTP
Name:2'-DEOXYADENOSINE 5'-TRIPHOSPHATE
Formula:C10 H16 N5 O12 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)
DUT
DUT
Name:DEOXYURIDINE-5'-TRIPHOSPHATE
Formula:C9 H15 N2 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
InChi:InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:2000-05-11
Last modified:2011-06-04
Identifier:2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
DXA
DXA
Name:1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
Formula:C24 H30 O7
SMILES:O=C(C(O)C(O)C)C(OC)C3CC(=O)c2c(cc1ccc(c(O)c1c2O)C(C)CC)C3
InChi:InChI=1S/C24H30O7/c1-5-11(2)16-7-6-13-8-14-9-15(24(31-4)23(30)20(27)12(3)25)10-17(26)18(14)22(29)19(13)21(16)28/h6-8,11-12,15,20,24-25,27-29H,5,9-10H2,1-4H3/t11-,12-,15-,20+,24+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1S)-5-deoxy-1-C-{(2R)-5,10-dihydroxy-6-[(1R)-1-methylpropyl]-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl}-1-O-methyl-D-xylulose
DXB
DXB
Name:1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE
Formula:C21 H24 O7
SMILES:O=C(C(O)C(O)C)C(OC)C3CC(=O)c2c(cc1ccc(c(O)c1c2O)C)C3
InChi:InChI=1S/C21H24O7/c1-9-4-5-11-6-12-7-13(21(28-3)20(27)18(25)10(2)22)8-14(23)15(12)19(26)16(11)17(9)24/h4-6,10,13,18,21-22,24-26H,7-8H2,1-3H3/t10-,13+,18-,21-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1S)-5-deoxy-1-C-[(2R)-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-L-ribulose
6PG
6PG
Name:6-PHOSPHOGLUCONIC ACID
Formula:C6 H13 O10 P
SMILES:O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O
InChi:InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:6-O-phosphono-D-gluconic acid
E04
E04
Name:3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
Formula:C25 H33 N O3
SMILES:O=C(N)c1cc3c(cc1)C2CCC5(C(C2CC3)CCC54OC(=O)C(C)(C)CC4)C
InChi:InChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18-,19-,20+,24+,25-/m1/s1
Definition date:2005-06-01
Last modified:2011-06-04
Identifier:(8R,9S,13S,14S,17R)-5',5',13-trimethyl-6'-oxo-3',4',5',6,6',7,8,9,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-pyran]-3-carboxamide
E10
E10
Name:(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE
Formula:C28 H42 N4 O2
SMILES:O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNC4C3=C(NC(=O)C=C3)CCC4
InChi:InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1
Definition date:2002-07-30
Last modified:2011-06-04
Identifier:(5S,5'S)-5,5'-(decane-1,10-diyldiimino)di(5,6,7,8-tetrahydroquinolin-2(1H)-one)
E12
E12
Name:(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE
Formula:C30 H46 N4 O2
SMILES:O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCCCNC4C3=C(NC(=O)C=C3)CCC4
InChi:InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1
Definition date:2002-07-30
Last modified:2011-06-04
Identifier:(5S,5'S)-5,5'-(dodecane-1,12-diyldiimino)di(5,6,7,8-tetrahydroquinolin-2(1H)-one)
MNG
MNG
Name:MENOGARIL
Formula:C28 H31 N O10
SMILES:O=C4c3c(O)cc1c(OC2OC1(C(O)C(N(C)C)C2O)C)c3C(=O)c5cc6c(c(O)c45)C(OC)CC(O)(C)C6
InChi:InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19+,23+,25-,26-,27-,28-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2R,3S,4R,5R,6R,11R,13R)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione
MOC
MOC
Name:CARBAMIC ACID 2,6-DIAMINO-5-METHYL-4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER
Formula:C14 H16 N4 O4
SMILES:O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(N)C3)COC(=O)N
InChi:InChI=1S/C14H16N4O4/c1-5-10(16)13(20)9-7(4-22-14(17)21)8-2-6(15)3-18(8)11(9)12(5)19/h6H,2-4,15-16H2,1H3,(H2,17,21)/t6-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(2R)-2,7-diamino-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate
MOY
MOY
Name:[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE
Formula:C19 H18 N2 O2 S
SMILES:S=C2NC(c1cccc(O)c1)C(=C(N2C)C)C(=O)c3ccccc3
InChi:InChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1
Definition date:2006-09-22
Last modified:2011-06-04
Identifier:[(4R)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone
6UL
6UL
Name:TETRACOSYL PALMITATE
Formula:C40 H80 O2
SMILES:O=C(OCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChi:InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
Definition date:2006-05-24
Last modified:2011-06-04
Identifier:tetracosyl hexadecanoate
MRY
MRY
Name:MESO-ERYTHRITOL
Formula:C4 H10 O4
SMILES:OCC(O)C(O)CO
InChi:InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
Definition date:2004-05-26
Last modified:2011-06-04
Identifier:(2R,3S)-butane-1,2,3,4-tetrol
3AS
3AS
Name:(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
Formula:C20 H20 F2 O4
SMILES:FC4(F)CC2C(c3c(OC2c1ccc(O)cc1)c(cc(O)c3)COC)C4
InChi:InChI=1S/C20H20F2O4/c1-25-10-12-6-14(24)7-15-16-8-20(21,22)9-17(16)18(26-19(12)15)11-2-4-13(23)5-3-11/h2-7,16-18,23-24H,8-10H2,1H3/t16-,17-,18-/m0/s1
Definition date:2007-10-08
Last modified:2011-06-04
Identifier:(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
MT5
MT5
Name:N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM
Formula:C15 H30 N3 O4
SMILES:OC2C1N(C(/NC1)=[NH+]CCCCCCCC)C(O)C(O)C2O
InChi:InChI=1S/C15H29N3O4/c1-2-3-4-5-6-7-8-16-15-17-9-10-11(19)12(20)13(21)14(22)18(10)15/h10-14,19-22H,2-9H2,1H3,(H,16,17)/p+1/t10-,11-,12+,13-,14-/m1/s1
Definition date:2009-03-23
Last modified:2011-06-04
Identifier:N-[(3E,5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2H)-ylidene]octan-1-aminium
MTE
MTE
Name:PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER
Formula:C10 H14 N5 O6 P S2
SMILES:O=P(O)(O)OCC2OC3NC=1N=C(NC(=O)C=1NC3C(S)=C2S)N
InChi:InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate
MU0
MU0
Name:(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE
Formula:C37 H45 N5 O6
SMILES:O=C5OC(C(=O)NC(Cc1ccccc1)C(O)CC(NC(=O)C(N2C(=O)NCCC2)C(C)C)Cc3ccccc3)CN5c4ccccc4
InChi:InChI=1S/C37H45N5O6/c1-25(2)33(41-20-12-19-38-36(41)46)35(45)39-28(21-26-13-6-3-7-14-26)23-31(43)30(22-27-15-8-4-9-16-27)40-34(44)32-24-42(37(47)48-32)29-17-10-5-11-18-29/h3-11,13-18,25,28,30-33,43H,12,19-24H2,1-2H3,(H,38,46)(H,39,45)(H,40,44)/t28-,30-,31-,32-,33-/m0/s1
Definition date:2007-06-01
Last modified:2011-06-04
Identifier:(5S)-N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoyl]amino}-5-phenylpentyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
3CP
3CP
Name:3-CARBOXYPROPYL-COENZYME A
Formula:C25 H42 N7 O18 P3 S
SMILES:O=C(O)CCCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(33)27-7-9-54-8-3-4-16(34)35)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,36-37H,3-11H2,1-2H3,(H,27,33)(H,28,38)(H,34,35)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)
MVB
MVB
Name:(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL
Formula:C18 H26 O4
SMILES:O=C3OC(CCC2C1C(=CCCC1O)C=CC2C)CC(O)C3
InChi:InChI=1S/C18H26O4/c1-11-5-6-12-3-2-4-16(20)18(12)15(11)8-7-14-9-13(19)10-17(21)22-14/h3,5-6,11,13-16,18-20H,2,4,7-10H2,1H3/t11-,13+,14-,15-,16-,18-/m0/s1
Definition date:2005-01-27
Last modified:2011-06-04
Identifier:(4R,6S)-4-hydroxy-6-{2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}tetrahydro-2H-pyran-2-one
3EJ
3EJ
Name:4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid
Formula:C22 H17 F N6 O3
SMILES:Fc1cccc(c1)CNC(=O)c4nccc(c2nn(nn2)Cc3ccc(C(=O)O)cc3)c4
InChi:InChI=1S/C22H17FN6O3/c23-18-3-1-2-15(10-18)12-25-21(30)19-11-17(8-9-24-19)20-26-28-29(27-20)13-14-4-6-16(7-5-14)22(31)32/h1-11H,12-13H2,(H,25,30)(H,31,32)
Definition date:2009-10-29
Last modified:2011-06-04
Identifier:4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid

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