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FFD
FFD
Name:(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol
Formula:C11 H14 F O6 P
SMILES:O=P(OCC2OC(c1cccc(F)c1)CC2O)(O)O
InChi:InChI=1S/C11H14FO6P/c12-8-3-1-2-7(4-8)10-5-9(13)11(18-10)6-17-19(14,15)16/h1-4,9-11,13H,5-6H2,(H2,14,15,16)/t9-,10+,11+/m0/s1
Definition date:2007-04-16
Last modified:2011-06-04
Identifier:(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol
FFF
FFF
Name:TRIFLUOROFURNESYL DIPHOSPHATE
Formula:C15 H25 F3 O7 P2
SMILES:FC(F)(F)/C(=CCOP(=O)(OP(=O)(O)O)O)CCC=C(/C)CCC=C(/C)C
InChi:InChI=1S/C15H25F3O7P2/c1-12(2)6-4-7-13(3)8-5-9-14(15(16,17)18)10-11-24-27(22,23)25-26(19,20)21/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,22,23)(H2,19,20,21)/b13-8+,14-10-
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2Z,6E)-7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trien-1-yl trihydrogen diphosphate
FFM
FFM
Name:S-[(1R,2R)-2-hydroxy-1-methyl-2-phosphonoethyl]-L-cysteine
Formula:C6 H14 N O6 P S
SMILES:C[CH](SC[CH](N)C(O)=O)[CH](O)[P](O)(O)=O
InChi:InChI=1S/C6H14NO6PS/c1-3(6(10)14(11,12)13)15-2-4(7)5(8)9/h3-4,6,10H,2,7H2,1H3,(H,8,9)(H2,11,12,13)/t3-,4+,6-/m1/s1
Definition date:2009-12-08
Last modified:2011-06-04
Identifier:(2R)-2-azanyl-3-[(1R,2R)-1-hydroxy-1-phosphono-propan-2-yl]sulfanyl-propanoic acid
FFP
FFP
Name:2,6-DIFLUOROPHENOL
Formula:C6 H4 F2 O
SMILES:Fc1cccc(F)c1O
InChi:InChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
Definition date:2006-10-10
Last modified:2011-06-04
Identifier:2,6-difluorophenol
FG2
FG2
Name:5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide
Formula:C16 H15 N3 O4 S
SMILES:O=S(=O)(c1ncc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3
InChi:InChI=1S/C16H15N3O4S/c1-10-3-6-15(17-9-10)24(21,22)19-16(20)14-8-11-7-12(23-2)4-5-13(11)18-14/h3-9,18H,1-2H3,(H,19,20)
Definition date:2009-09-04
Last modified:2011-06-04
Identifier:5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide
FG3
FG3
Name:(5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid
Formula:C18 H17 N3 O6 S
SMILES:O=S(=O)(c1ncc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O
InChi:InChI=1S/C18H17N3O6S/c1-11-3-6-16(19-9-11)28(25,26)20-18(24)15-8-12-7-13(27-2)4-5-14(12)21(15)10-17(22)23/h3-9H,10H2,1-2H3,(H,20,24)(H,22,23)
Definition date:2009-09-04
Last modified:2011-06-04
Identifier:(5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid
FG4
FG4
Name:{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid
Formula:C21 H17 N O6
SMILES:O=C(O)Cn1c4ccc(OC)cc4cc1C(=O)OCc3oc2ccccc2c3
InChi:InChI=1S/C21H17NO6/c1-26-15-6-7-17-14(9-15)10-18(22(17)11-20(23)24)21(25)27-12-16-8-13-4-2-3-5-19(13)28-16/h2-10H,11-12H2,1H3,(H,23,24)
Definition date:2009-09-04
Last modified:2011-06-04
Identifier:{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid
FG5
FG5
Name:(2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid
Formula:C20 H18 N2 O6 S
SMILES:O=C(O)Cn1c4ccc(OC)cc4cc1CNS(=O)(=O)c3oc2ccccc2c3
InChi:InChI=1S/C20H18N2O6S/c1-27-16-6-7-17-14(9-16)8-15(22(17)12-19(23)24)11-21-29(25,26)20-10-13-4-2-3-5-18(13)28-20/h2-10,21H,11-12H2,1H3,(H,23,24)
Definition date:2009-09-04
Last modified:2011-06-04
Identifier:(2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid
FG6
FG6
Name:{2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid
Formula:C20 H16 N2 O7 S
SMILES:O=C(O)Cn1c4ccc(OC)cc4cc1C(=O)NS(=O)(=O)c3oc2ccccc2c3
InChi:InChI=1S/C20H16N2O7S/c1-28-14-6-7-15-13(8-14)9-16(22(15)11-18(23)24)20(25)21-30(26,27)19-10-12-4-2-3-5-17(12)29-19/h2-10H,11H2,1H3,(H,21,25)(H,23,24)
Definition date:2009-09-04
Last modified:2011-06-04
Identifier:{2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid
FGR
FGR
Name:N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE
Formula:C8 H15 N2 O9 P
SMILES:O=C(NC1OC(C(O)C1O)COP(=O)(O)O)CNC=O
InChi:InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
Definition date:2006-07-26
Last modified:2011-06-04
Identifier:N-(N-formylglycyl)-5-O-phosphono-beta-D-ribofuranosylamine
FGS
FGS
Name:5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHONO-L-IDITOL
Formula:C8 H18 N O9 P
SMILES:O=P(O)(O)OCC(O)C(O)C(O)C(NC(=O)C)CO
InChi:InChI=1S/C8H18NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h5-8,10,12-14H,2-3H2,1H3,(H,9,11)(H2,15,16,17)/t5-,6-,7+,8+/m0/s1
Definition date:2009-09-25
Last modified:2011-06-04
Identifier:5-(acetylamino)-5-deoxy-1-O-phosphono-L-iditol
FHB
FHB
Name:3-FLUORO-4-HYDROXYBENZOIC ACID
Formula:C7 H5 F O3
SMILES:Fc1cc(C(=O)O)ccc1O
InChi:InChI=1S/C7H5FO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-fluoro-4-hydroxybenzoic acid
FHM
FHM
Name:S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
Formula:C17 H14 F4 N2 O5
SMILES:FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(COc2ccc(F)cc2)C
InChi:InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1
Definition date:2005-09-08
Last modified:2011-06-04
Identifier:(2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
FHN
FHN
Name:(2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM
Formula:C7 H16 N O5
SMILES:OC1C(CO)[NH2+]C(C(O)C1O)CO
InChi:InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/p+1/t3-,4-,5+,6+/m0/s1
Definition date:2009-10-20
Last modified:2011-06-04
Identifier:(2S,3R,5R,6S)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)piperidinium
FI4
FI4
Name:(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
Formula:C20 H16 Cl F2 N5 O2
SMILES:Fc4ccc(Oc1nc2c(c(n1)NCC(O)C)c(nn2)c3ccccc3Cl)c(F)c4
InChi:InChI=1S/C20H16ClF2N5O2/c1-10(29)9-24-18-16-17(12-4-2-3-5-13(12)21)27-28-19(16)26-20(25-18)30-15-7-6-11(22)8-14(15)23/h2-8,10,29H,9H2,1H3,(H2,24,25,26,27,28)/t10-/m0/s1
Definition date:2008-12-11
Last modified:2011-06-04
Identifier:(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
FIC
FIC
Name:5-fluoroindole-2-carboxylic acid
Formula:C9 H6 F N O2
SMILES:Fc1cc2c(cc1)nc(c2)C(=O)O
InChi:InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
Definition date:2008-07-25
Last modified:2011-06-04
Identifier:5-fluoro-1H-indole-2-carboxylic acid
FIN
FIN
Name:(1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID
Formula:C17 H22 N O6 P S
SMILES:O=P(O)(O)C(NS(=O)(=O)c2ccc(c1ccc(OC)cc1)cc2)C(C)C
InChi:InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
Definition date:2005-06-07
Last modified:2011-06-04
Identifier:[(1R)-1-{[(4'-methoxybiphenyl-4-yl)sulfonyl]amino}-2-methylpropyl]phosphonic acid
FIP
FIP
Name:5-FLUOROINDOLE PROPANOL PHOSPHATE
Formula:C11 H13 F N O4 P
SMILES:Fc1cc2c(cc1)ncc2CCCOP(=O)(O)O
InChi:InChI=1S/C11H13FNO4P/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-17-18(14,15)16/h3-4,6-7,13H,1-2,5H2,(H2,14,15,16)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-(5-fluoro-1H-indol-3-yl)propyl dihydrogen phosphate
RUO
RUO
Name:oxo-centered triruthenium cluster
Formula:O Ru3
SMILES:[Ru][O]([Ru])[Ru]
InChi:InChI=1S/O.3Ru
Definition date:2011-01-06
Last modified:2011-04-22
OEX
OEX
Name:CA-MN4-O5 CLUSTER
Formula:Ca Mn4 O5
SMILES:O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn]456
InChi:InChI=1S/Ca.4Mn.5O
Definition date:2011-01-17
Last modified:2011-04-15
HAD
HAD
Name:(CARBOXYHYDROXYAMINO)ETHANOIC ACID
Formula:C3 H5 N O5
SMILES:O=C(O)N(O)CC(=O)O
InChi:InChI=1S/C3H5NO5/c5-2(6)1-4(9)3(7)8/h9H,1H2,(H,5,6)(H,7,8)
Definition date:1999-07-08
Last modified:2010-10-20
Identifier:N-carboxy-N-hydroxyglycine
IOX
IOX
Name:phenylmethanesulfonic acid
Formula:C7 H8 O3 S
SMILES:O=S(=O)(O)Cc1ccccc1
InChi:InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)
Definition date:2009-08-24
Last modified:2010-06-23
Identifier:phenylmethanesulfonic acid
RAW
RAW
Name:beta,beta-caroten-4-one
Formula:C40 H54 O
SMILES:O=C2C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)CC2)C
InChi:InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
Definition date:2009-07-09
Last modified:2010-04-07
Identifier:beta,beta-caroten-4-one
HDP
HDP
Name:[(1S,6S)-6-HYDROXY-4-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:C12 H17 N2 O7 P
SMILES:O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O
InChi:InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m1/s1
Definition date:2004-07-22
Last modified:2010-03-30
Identifier:[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
DRT
DRT
Name:2'-DEOXY-L-RIBO-FURANOSYL THYMINE-5'-MONOPHOSPHATE
Formula:C10 H15 N2 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
InChi:InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1
Definition date:2000-09-27
Last modified:2010-03-30
Identifier:1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

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