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DEA

DEA
Name:	D-ERITADENINE
Formula:	C9 H11 N5 O4
SMILES:	O=C(O)C(O)C(O)Cn1c2ncnc(c2nc1)N
InChi:	InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1
Definition date:	1999-10-12
Last modified:	2011-06-04
Identifier:	(2R,3R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoic acid

DEB

DEB
Name:	6-DEOXYERYTHRONOLIDE B
Formula:	C21 H38 O6
SMILES:	O=C1OC(C(C(O)C(C(=O)C(CC(C)C(O)C(C)C(O)C1C)C)C)C)CC
InChi:	InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione

DED

DED
Name:	2-DIMETHYLAMINO-ETHYL-DIPHOSPHATE
Formula:	C4 H13 N O7 P2
SMILES:	O=P(OP(=O)(OCCN(C)C)O)(O)O
InChi:	InChI=1S/C4H13NO7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3-4H2,1-2H3,(H,9,10)(H2,6,7,8)
Definition date:	2002-12-30
Last modified:	2011-06-04
Identifier:	2-(dimethylamino)ethyl trihydrogen diphosphate

DEE

DEE
Name:	3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Formula:	C8 H12 N2 O2
SMILES:	O=C(OCC)c1c(nnc1C)C
InChi:	InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)
Definition date:	2004-11-23
Last modified:	2011-06-04
Identifier:	ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate

RXP

RXP
Name:	1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID
Formula:	C39 H43 N4 O6 P
SMILES:	O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)CC(C(=O)NC(C(=O)N)Cc4c3ccccc3nc4)CCCc5ccccc5
InChi:	InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31-,35+,36+/m1/s1
Definition date:	2001-01-15
Last modified:	2011-06-04
Identifier:	Nalpha-[(2S)-2-{[(S)-[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide

DEH

DEH
Name:	2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium
Formula:	C19 H18 N O4
SMILES:	Oc4cc3c2cc1ccc(OC)c(O)c1c[n+]2CCc3cc4OC
InChi:	InChI=1S/C19H17NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,7-10,21H,5-6H2,1-2H3/p+1
Definition date:	2009-04-09
Last modified:	2011-06-04
Identifier:	2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium

DEI

DEI
Name:	(2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid
Formula:	C4 H6 O3 S
SMILES:	O=C(O)C(O)=CSC
InChi:	InChI=1S/C4H6O3S/c1-8-2-3(5)4(6)7/h2,5H,1H3,(H,6,7)/b3-2-
Definition date:	2008-10-14
Last modified:	2011-06-04
Identifier:	(2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid

DEM

DEM
Name:	DECYLOXY-METHANOL
Formula:	C11 H24 O2
SMILES:	OCOCCCCCCCCCC
InChi:	InChI=1S/C11H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h12H,2-11H2,1H3
Definition date:	2000-03-08
Last modified:	2011-06-04
Identifier:	(decyloxy)methanol

DEN

DEN
Name:	INDENE
Formula:	C9 H8
SMILES:	c1cccc2c1C=CC2
InChi:	InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1H-indene

RXV

RXV
Name:	6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE
Formula:	C25 H27 N5 O2 S
SMILES:	N#Cc2cnc1c(cc(OC)cc1)c2CCN5CCC(NCc3ncc4OCSc4c3)CC5
InChi:	InChI=1S/C25H27N5O2S/c1-31-20-2-3-23-22(11-20)21(17(12-26)13-29-23)6-9-30-7-4-18(5-8-30)27-14-19-10-25-24(15-28-19)32-16-33-25/h2-3,10-11,13,15,18,27H,4-9,14,16H2,1H3
Definition date:	2010-04-25
Last modified:	2011-06-04
Identifier:	6-methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile

DEO

DEO
Name:	2-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHYL]-4-(4'-ETHOXY-1,1'-BIPHENYL-4-YL)-4-OXOBUTANOIC ACID
Formula:	C28 H25 N O6
SMILES:	O=C(c2ccc(c1ccc(OCC)cc1)cc2)CC(C(=O)O)CCN4C(=O)c3ccccc3C4=O
InChi:	InChI=1S/C28H25NO6/c1-2-35-22-13-11-19(12-14-22)18-7-9-20(10-8-18)25(30)17-21(28(33)34)15-16-29-26(31)23-5-3-4-6-24(23)27(29)32/h3-14,21H,2,15-17H2,1H3,(H,33,34)/t21-/m0/s1
Definition date:	2003-12-08
Last modified:	2011-06-04
Identifier:	(2S)-2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-(4'-ethoxybiphenyl-4-yl)-4-oxobutanoic acid

DER

DER
Name:	D-4-PHOSPHOERYTHRONIC ACID
Formula:	C4 H9 O8 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(=O)O
InChi:	InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3+/m0/s1
Definition date:	2002-05-01
Last modified:	2011-06-04
Identifier:	(2R,3S)-2,3-dihydroxy-4-(phosphonooxy)butanoic acid

DES

DES
Name:	DIETHYLSTILBESTROL
Formula:	C18 H20 O2
SMILES:	Oc2ccc(/C(=C(/c1ccc(O)cc1)CC)CC)cc2
InChi:	InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4,4'-(3E)-hex-3-ene-3,4-diyldiphenol

DET

DET
Name:	UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE
Formula:	C13 H29 N O
SMILES:	[O-][N+](CCCCCCCCCCC)(C)C
InChi:	InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	dimethyl(undecyl)amine oxide

DEZ

DEZ
Name:	4-PHOSPHO-D-ERYTHRONATE
Formula:	C4 H9 O8 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(=O)O
InChi:	InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1
Definition date:	2004-11-30
Last modified:	2011-06-04
Identifier:	(2R,3R)-2,3-dihydroxy-4-(phosphonooxy)butanoic acid

DF1

DF1
Name:	(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL
Formula:	C21 H20 N4 O
SMILES:	n1c3c(c(nc1)NCC(O)C)c(c(c2ccccc2)n3)c4ccccc4
InChi:	InChI=1S/C21H20N4O/c1-14(26)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)25-21(18)24-13-23-20/h2-11,13-14,26H,12H2,1H3,(H2,22,23,24,25)/t14-/m1/s1
Definition date:	2005-05-09
Last modified:	2011-06-04
Identifier:	(2R)-1-[(5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

DF2

DF2
Name:	(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL
Formula:	C21 H20 N4 O2
SMILES:	n1c3c(c(nc1)NCC(O)CO)c(c(c2ccccc2)n3)c4ccccc4
InChi:	InChI=1S/C21H20N4O2/c26-12-16(27)11-22-20-18-17(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)25-21(18)24-13-23-20/h1-10,13,16,26-27H,11-12H2,(H2,22,23,24,25)/t16-/m1/s1
Definition date:	2005-05-09
Last modified:	2011-06-04
Identifier:	(2R)-3-[(5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propane-1,2-diol

DF3

DF3
Name:	N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
Formula:	C28 H24 F3 N3 O4 S
SMILES:	FC(F)(F)c1cccc(c1)C(=O)NCCn5c2ccccc2c(SCC(=O)Nc3ccc4OCCOc4c3)c5
InChi:	InChI=1S/C28H24F3N3O4S/c29-28(30,31)19-5-3-4-18(14-19)27(36)32-10-11-34-16-25(21-6-1-2-7-22(21)34)39-17-26(35)33-20-8-9-23-24(15-20)38-13-12-37-23/h1-9,14-16H,10-13,17H2,(H,32,36)(H,33,35)
Definition date:	2009-09-04
Last modified:	2011-06-04
Identifier:	N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide

DF9

DF9
Name:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol
Formula:	C19 H23 N5 O S
SMILES:	S(Cc1ccccc1)CC4CN(Cc3cnc2c3ncnc2N)CC4O
InChi:	InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)/t15-,16+/m1/s1
Definition date:	2008-06-12
Last modified:	2011-06-04
Identifier:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol

DFA

DFA
Name:	DIPHENYLACETIC ACID
Formula:	C14 H12 O2
SMILES:	O=C(O)C(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
Definition date:	2001-09-25
Last modified:	2011-06-04
Identifier:	diphenylacetic acid

DFB

DFB
Name:	2,3-DIFLUOROBENZYL ALCOHOL
Formula:	C7 H6 F2 O
SMILES:	Fc1c(cccc1F)CO
InChi:	InChI=1S/C7H6F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
Definition date:	2002-08-16
Last modified:	2011-06-04
Identifier:	(2,3-difluorophenyl)methanol

RYU

RYU
Name:	(2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-2,3'-BIINDOL-2'(1'H)-ONE
Formula:	C22 H23 N3 O5 S
SMILES:	O=S(=O)(c4cc3C(=C2Nc1ccccc1C2(O)C)C(=O)Nc3cc4)N5CCC(O)CC5
InChi:	InChI=1S/C22H23N3O5S/c1-22(28)16-4-2-3-5-18(16)23-20(22)19-15-12-14(6-7-17(15)24-21(19)27)31(29,30)25-10-8-13(26)9-11-25/h2-7,12-13,23,26,28H,8-11H2,1H3,(H,24,27)/b20-19-/t22-/m0/s1
Definition date:	2005-01-11
Last modified:	2011-06-04
Identifier:	(2Z,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one

DFJ

DFJ
Name:	N-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE
Formula:	C28 H29 F4 N3 O9 P2
SMILES:	FC(F)(c1ccc(cc1)CC(=O)NC(C(=O)NC(C(=O)N)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)Cc3ccccc3)P(=O)(O)O
InChi:	InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1
Definition date:	2006-05-21
Last modified:	2011-06-04
Identifier:	N-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-L-phenylalanyl-4-[difluoro(phosphono)methyl]-L-phenylalaninamide

DFN

DFN
Name:	3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHENYL]-4-(5-FLUORO-1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE
Formula:	C22 H20 F N3 O4
SMILES:	O=C4C(c1cccc(NCC(O)CO)c1)=C(c3c2cc(F)ccc2n(c3)C)C(=O)N4
InChi:	InChI=1S/C22H20FN3O4/c1-26-10-17(16-8-13(23)5-6-18(16)26)20-19(21(29)25-22(20)30)12-3-2-4-14(7-12)24-9-15(28)11-27/h2-8,10,15,24,27-28H,9,11H2,1H3,(H,25,29,30)/t15-/m0/s1
Definition date:	2003-09-21
Last modified:	2011-06-04
Identifier:	3-(3-{[(2S)-2,3-dihydroxypropyl]amino}phenyl)-4-(5-fluoro-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione

DFT

DFT
Name:	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE
Formula:	C12 H15 F2 O6 P
SMILES:	O=P(OCC2OC(c1cc(c(F)cc1F)C)CC2O)(O)O
InChi:	InChI=1S/C12H15F2O6P/c1-6-2-7(9(14)3-8(6)13)11-4-10(15)12(20-11)5-19-21(16,17)18/h2-3,10-12,15H,4-5H2,1H3,(H2,16,17,18)/t10-,11+,12+/m0/s1
Definition date:	1999-09-28
Last modified:	2011-06-04
Identifier:	(1R)-1,4-anhydro-2-deoxy-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-erythro-pentitol

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