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0RC
0RC
Name:5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
Formula:C11 H20 N4 O10 P2
SMILES:O=P(O)(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)CCN
InChi:InChI=1S/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1
Definition date:2007-08-13
Last modified:2019-08-02
Release date:2019-08-07
Identifier:5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
DVQ
DVQ
Name:2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
Formula:C8 H18 N2 O2
SMILES:OCCN1CCN(CCO)CC1
InChi:InChI=1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2
Definition date:2018-02-02
Last modified:2018-06-01
Release date:2018-06-06
Identifier:2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
UDY
UDY
Name:6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
Formula:C15 H9 F N4 S2
SMILES:Fc1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1
InChi:InChI=1S/C15H9FN4S2/c16-9-4-5-11-13(7-9)22-15(18-11)20-14-19-12(8-21-14)10-3-1-2-6-17-10/h1-8H,(H,18,19,20)
Definition date:2017-01-27
Last modified:2017-10-20
Release date:2017-10-25
Identifier:6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
7XL
7XL
Name:[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid
Formula:C11 H19 N3 O11 P2
SMILES:NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)CCO)[CH](O)[CH]2O
InChi:InChI=1S/C11H19N3O11P2/c12-7-1-2-14(11(18)13-7)10-9(17)8(16)6(24-10)5-23-27(21,22)25-26(19,20)4-3-15/h1-2,6,8-10,15-17H,3-5H2,(H,19,20)(H,21,22)(H2,12,13,18)/t6-,8-,9-,10-/m1/s1
Definition date:2017-02-06
Last modified:2017-09-08
Release date:2017-09-13
Identifier:[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid
6ZJ
6ZJ
Name:Iron(III) dicitrate
Formula:C12 H10 Fe O14
SMILES:OC12CC(=O)O[Fe]34(OC(=O)C1)(OC(=O)CC(O)(CC(=O)O3)C(=O)O4)OC2=O
InChi:InChI=1S/2C6H8O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10
Definition date:2016-08-01
Last modified:2017-01-20
Release date:2017-01-25
Identifier:5,5'-bis(oxidanyl)-1,1'-spirobi[2,8,9-trioxa-1$l^{6}-ferrabicyclo[3.3.2]decane]-3,3',7,7',10,10'-hexone
Y80
Y80
Name:4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one
Formula:C24 H20 N2 O3
SMILES:O=C1CN(c2c(N1)cccc2)C(=O)C(c3ccccc3)=[C@H]c4ccc(cc4)OC
InChi:InChI=1S/C24H20N2O3/c1-29-19-13-11-17(12-14-19)15-20(18-7-3-2-4-8-18)24(28)26-16-23(27)25-21-9-5-6-10-22(21)26/h2-15H,16H2,1H3,(H,25,27)/b20-15+
Definition date:2015-03-10
Last modified:2016-01-08
Release date:2016-01-13
Identifier:4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one
XO3
XO3
Name:5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
Formula:C15 H18 N2 O2
SMILES:O=C1C=C(ON1)C3CCNC(Cc2ccccc2)C3
InChi:InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1
Definition date:2013-12-10
Last modified:2014-09-05
Release date:2014-06-18
Identifier:5-[(2R,4S)-2-benzylpiperidin-4-yl]-1,2-oxazol-3(2H)-one
O7E
O7E
Name:6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate)
Formula:C12 H17 N2 O11 P
SMILES:O=C(OCC)C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C12H17N2O11P/c1-2-23-11(18)5-3-7(15)13-12(19)14(5)10-9(17)8(16)6(25-10)4-24-26(20,21)22/h3,6,8-10,16-17H,2,4H2,1H3,(H,13,15,19)(H2,20,21,22)/t6-,8-,9-,10-/m1/s1
Definition date:2013-10-31
Last modified:2013-11-29
Release date:2013-12-04
Identifier:6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate)
1FK
1FK
Name:1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone
Formula:C14 H12 N4 O
SMILES:O=C(c1cc(c2cc(ccn12)N)c3ncccn3)C
InChi:InChI=1S/C14H12N4O/c1-9(19)12-8-11(14-16-4-2-5-17-14)13-7-10(15)3-6-18(12)13/h2-8H,15H2,1H3
Definition date:2013-01-16
Last modified:2013-01-18
Release date:2013-01-18
Identifier:1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone
M4C
M4C
Name:N-methyl-2'-O-methylcytidine 5'-(dihydrogen phosphate)
Formula:C11 H18 N3 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(NC)C=C1)C(OC)C2O
InChi:InChI=1S/C11H18N3O8P/c1-12-7-3-4-14(11(16)13-7)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,13,16)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1
Definition date:2011-01-18
Last modified:2012-05-30
Identifier:N-methyl-2'-O-methylcytidine 5'-(dihydrogen phosphate)
STL
STL
Name:RESVERATROL
Formula:C14 H12 O3
SMILES:Oc2cc(C=Cc1ccc(O)cc1)cc(O)c2
InChi:InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
NAY
NAY
Name:6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-2-OXONONANOIC ACID
Formula:C11 H19 N O8
SMILES:O=C(O)C(=O)CCC(NC(=O)C)C(O)C(O)C(O)CO
InChi:InChI=1S/C11H19NO8/c1-5(14)12-6(2-3-7(15)11(19)20)9(17)10(18)8(16)4-13/h6,8-10,13,16-18H,2-4H2,1H3,(H,12,14)(H,19,20)/t6-,8-,9-,10-/m1/s1
Definition date:2000-07-17
Last modified:2011-06-04
Identifier:5-(acetylamino)-3,4,5-trideoxy-D-manno-non-2-ulosonic acid
NB1
NB1
Name:(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL
Formula:C10 H17 N O4 S
SMILES:N1=C(SC2OC(C(O)C(O)C12)CO)CCC
InChi:InChI=1S/C10H17NO4S/c1-2-3-6-11-7-9(14)8(13)5(4-12)15-10(7)16-6/h5,7-10,12-14H,2-4H2,1H3/t5-,7-,8-,9-,10-/m1/s1
Definition date:2006-08-31
Last modified:2011-06-04
Identifier:(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
6AU
6AU
Name:6-acetyluridine 5'-phosphate
Formula:C11 H15 N2 O10 P
SMILES:O=C(C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O)C
InChi:InChI=1S/C11H15N2O10P/c1-4(14)5-2-7(15)12-11(18)13(5)10-9(17)8(16)6(23-10)3-22-24(19,20)21/h2,6,8-10,16-17H,3H2,1H3,(H,12,15,18)(H2,19,20,21)/t6-,8-,9-,10-/m1/s1
Definition date:2008-10-23
Last modified:2011-06-04
Identifier:6-acetyluridine 5'-(dihydrogen phosphate)
4OC
4OC
Name:4N,O2'-METHYLCYTIDINE-5'-MONOPHOSPHATE
Formula:C11 H18 N3 O8 P
SMILES:O=C1N=C(NC)C=CN1C2OC(C(O)C2OC)COP(=O)(O)O
InChi:InChI=1S/C11H18N3O8P/c1-12-7-3-4-14(11(16)13-7)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,13,16)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1
Definition date:2006-08-24
Last modified:2011-06-04
Identifier:N-methyl-2'-O-methylcytidine 5'-(dihydrogen phosphate)
M5M
M5M
Name:2'-(N-ACETAMIDE)-CYTIDINE-5'-MONOPHOSPHATE
Formula:C11 H17 N4 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2NC(=O)C)COP(=O)(O)O
InChi:InChI=1S/C11H17N4O8P/c1-5(16)13-8-9(17)6(4-22-24(19,20)21)23-10(8)15-3-2-7(12)14-11(15)18/h2-3,6,8-10,17H,4H2,1H3,(H,13,16)(H2,12,14,18)(H2,19,20,21)/t6-,8-,9-,10-/m1/s1
Definition date:2005-03-17
Last modified:2011-06-04
Identifier:2'-(acetylamino)-2'-deoxycytidine 5'-(dihydrogen phosphate)
BER
BER
Name:BERBERINE
Formula:C20 H18 N O4
SMILES:O1c2c(OC1)cc5c(c2)c4cc3ccc(OC)c(OC)c3c[n+]4CC5
InChi:InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
Definition date:2001-09-12
Last modified:2011-06-04
Identifier:9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium
AC6
AC6
Name:P-HYDROXYACETOPHENONE
Formula:C8 H8 O2
SMILES:O=C(c1ccc(O)cc1)C
InChi:InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
Definition date:2006-04-21
Last modified:2011-06-04
Identifier:1-(4-hydroxyphenyl)ethanone
PAN
PAN
Name:5-PHOSPHO-D-ARABINOHYDROXAMIC ACID
Formula:C5 H12 N O9 P
SMILES:O=P(O)(O)OCC(O)C(O)C(O)C(=O)NO
InChi:InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1
Definition date:2002-01-02
Last modified:2011-06-04
Identifier:1-(hydroxyamino)-5-O-phosphono-D-arabinose
CTD
CTD
Name:3-DEAZACYTIDINE
Formula:C10 H14 N2 O5
SMILES:O=C1C=C(N)C=CN1C2OC(C(O)C2O)CO
InChi:InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-amino-1-beta-D-ribofuranosylpyridin-2(1H)-one
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