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EQU

EQU
Name:	EQUILENIN
Formula:	C18 H18 O2
SMILES:	O=C4C3(CCc1c(ccc2c1ccc(O)c2)C3CC4)C
InChi:	InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-hydroxyestra-1,3,5(10),6,8-pentaen-17-one

ERY

ERY
Name:	ERYTHROMYCIN A
Formula:	C37 H67 N O13
SMILES:	O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C
InChi:	InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
Definition date:	2001-09-18
Last modified:	2011-06-04
Identifier:	(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name)

ETC

ETC
Name:	(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL
Formula:	C22 H24 O2
SMILES:	Oc4cc3c(C2=C(c1ccc(O)cc1CC2CC)C(CC)C3)cc4
InChi:	InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1
Definition date:	2002-02-26
Last modified:	2011-06-04
Identifier:	(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol

ETE

ETE
Name:	2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL
Formula:	C9 H20 O5
SMILES:	O(C)CCOCCOCCOCCO
InChi:	InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3
Definition date:	2002-10-09
Last modified:	2011-06-04
Identifier:	2,5,8,11-tetraoxatridecan-13-ol

ETR

ETR
Name:	N-ETHYL RETINAMIDE
Formula:	C22 H33 N O
SMILES:	O=C(NCC)C=C(C=CC=C(C=CC1=C(CCCC1(C)C)C)C)C
InChi:	InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	15-(ethylamino)retinal

6CS

6CS
Name:	(4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
Formula:	C6 H10 N2 O3
SMILES:	O=C(O)C1N=C(NCC1O)C
InChi:	InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1
Definition date:	2007-06-15
Last modified:	2011-06-04
Identifier:	(4S,5S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid

LUX

LUX
Name:	(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL
Formula:	C40 H72 O2
SMILES:	OC2CC(=C(/C=C/C(C)CCCC(C)CCCCC(C)CCCC(C)CCC1C(=CC(O)CC1(C)C)C)C(C)(C)C2)C
InChi:	InChI=1S/C40H72O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h21,23,26,29-32,35-36,38,41-42H,11-20,22,24-25,27-28H2,1-10H3/b23-21+/t29-,30+,31-,32?,35+,36-,38?/m1/s1
Definition date:	2005-01-19
Last modified:	2011-06-04
Identifier:	(3S,3'S,6R,9R,9'R,13S,13'R)-4,5-didehydro-5,6,7,8,9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol

6FA

6FA
Name:	6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE
Formula:	C27 H33 N9 O16 P2
SMILES:	O=C2C3=Nc1c(cc(c(c1O)C)C)N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O
InChi:	InChI=1S/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-42H,4-6H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t12-,13+,14+,19-,20+,21+,26+/m0/s1
Definition date:	2001-11-29
Last modified:	2011-06-04
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentyl dihydrogen diphosphate (non-preferred name)

LXP

LXP
Name:	L-XYLITOL 5-PHOSPHATE
Formula:	C5 H13 O8 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)CO
InChi:	InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m1/s1
Definition date:	2003-08-19
Last modified:	2011-06-04
Identifier:	1-O-phosphono-D-xylitol

LY1

LY1
Name:	8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE
Formula:	C10 H11 Cl2 N
SMILES:	Clc1c2c(ccc1Cl)CCCNC2
InChi:	InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2
Definition date:	2002-11-26
Last modified:	2011-06-04
Identifier:	8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine

LYR

LYR
Name:	N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE
Formula:	C26 H42 N2 O2
SMILES:	O=C(O)C(N)CCCCNC/C=C(/C=CC=C(C=CC1=C(CCCC1(C)C)C)C)C
InChi:	InChI=1S/C26H42N2O2/c1-20(14-15-23-22(3)12-9-17-26(23,4)5)10-8-11-21(2)16-19-28-18-7-6-13-24(27)25(29)30/h8,10-11,14-16,24,28H,6-7,9,12-13,17-19,27H2,1-5H3,(H,29,30)/b11-8-,15-14+,20-10+,21-16+/t24-/m0/s1
Definition date:	2005-03-17
Last modified:	2011-06-04
Identifier:	N~6~-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl]-L-lysine

LYX

LYX
Name:	N''-(2-COENZYME A)-PROPANOYL-LYSINE
Formula:	C30 H52 N9 O19 P3 S
SMILES:	O=C(O)C(N)CCCCNC(=O)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
InChi:	InChI=1S/C30H52N9O19P3S/c1-16(26(43)34-8-5-4-6-17(31)29(45)46)62-11-10-33-19(40)7-9-35-27(44)23(42)30(2,3)13-55-61(52,53)58-60(50,51)54-12-18-22(57-59(47,48)49)21(41)28(56-18)39-15-38-20-24(32)36-14-37-25(20)39/h14-18,21-23,28,41-42H,4-13,31H2,1-3H3,(H,33,40)(H,34,43)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/t16-,17-,18+,21+,22+,23-,28+/m0/s1
Definition date:	2002-07-22
Last modified:	2011-06-04
Identifier:	(3S,5R,9R,19S,26S)-26-amino-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)

LZR

LZR
Name:	6-(CYCLOPROP-2-EN-1-YLMETHOXY)-2-[6-(CYCLOPROPYLMETHYL)-5-OXO-3,4,5,6-TETRAHYDRO-2,6-NAPHTHYRIDIN-2(1H)-YL]-7-METHOXYQUINAZOLIN-4(3H)-ONE
Formula:	C25 H26 N4 O4
SMILES:	O=C1N(C=CC5=C1CCN(C4=Nc3cc(OC)c(OCC2C=C2)cc3C(=O)N4)C5)CC6CC6
InChi:	InChI=1S/C25H26N4O4/c1-32-21-11-20-19(10-22(21)33-14-16-4-5-16)23(30)27-25(26-20)29-9-7-18-17(13-29)6-8-28(24(18)31)12-15-2-3-15/h4-6,8,10-11,15-16H,2-3,7,9,12-14H2,1H3,(H,26,27,30)
Definition date:	2008-10-10
Last modified:	2011-06-04
Identifier:	6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1H)-yl]-7-methoxyquinazolin-4(3H)-one

LZS

LZS
Name:	N-{6-(CYCLOPROPYLMETHOXY)-7-METHOXY-2-[6-(2-METHYLPROPYL)-5-OXO-3,4,5,6-TETRAHYDRO-2,6-NAPHTHYRIDIN-2(1H)-YL]QUINAZOLIN-4-YL}-2,2,2-TRIFLUOROETHANESULFONAMIDE
Formula:	C27 H32 F3 N5 O5 S
SMILES:	FC(F)(F)CS(=O)(=O)Nc3nc(nc2cc(OC)c(OCC1CC1)cc23)N5CCC4=C(C=CN(C4=O)CC(C)C)C5
InChi:	InChI=1S/C27H32F3N5O5S/c1-16(2)12-34-8-6-18-13-35(9-7-19(18)25(34)36)26-31-21-11-22(39-3)23(40-14-17-4-5-17)10-20(21)24(32-26)33-41(37,38)15-27(28,29)30/h6,8,10-11,16-17H,4-5,7,9,12-15H2,1-3H3,(H,31,32,33)
Definition date:	2008-10-10
Last modified:	2011-06-04
Identifier:	N-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1H)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide

M1S

M1S
Name:	(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE
Formula:	C18 H21 Cl O5
SMILES:	O=C1OCCC=CCCCCCC(=O)Cc2c1c(O)cc(O)c2Cl
InChi:	InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2/b5-3+
Definition date:	2006-07-05
Last modified:	2011-06-04
Identifier:	(5E)-14-chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3H,13H)-dione

M21

M21
Name:	(10E,12Z)-tetradeca-10,12-dien-1-ol
Formula:	C14 H26 O
SMILES:	OCCCCCCCCCC=CC=C/C
InChi:	InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-5,15H,6-14H2,1H3/b3-2-,5-4+
Definition date:	2009-03-12
Last modified:	2011-06-04
Identifier:	(10E,12Z)-tetradeca-10,12-dien-1-ol

5FN

5FN
Name:	(3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDROXYMETHYL)-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL
Formula:	C8 H12 F N O5
SMILES:	FC1(OC2OC(=NC2C(O)C1O)C)CO
InChi:	InChI=1S/C8H12FNO5/c1-3-10-4-5(12)6(13)8(9,2-11)15-7(4)14-3/h4-7,11-13H,2H2,1H3/t4-,5-,6+,7+,8-/m1/s1
Definition date:	2009-11-30
Last modified:	2011-06-04
Identifier:	(3aS,5S,6S,7R,7aR)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol

M6R

M6R
Name:	5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-MANNITOL
Formula:	C6 H16 N O8 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)C(N)CO
InChi:	InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
Definition date:	2007-05-29
Last modified:	2011-06-04
Identifier:	5-amino-5-deoxy-1-O-phosphono-D-mannitol

DO3

DO3
Name:	10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID
Formula:	C17 H32 N4 O7
SMILES:	O=C(O)CN1CCN(CCN(CCN(CC(O)C)CC1)CC(=O)O)CC(=O)O
InChi:	InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-/m1/s1
Definition date:	2001-01-29
Last modified:	2011-06-04
Identifier:	2,2',2''-{10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetic acid

DOC

DOC
Name:	2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE
Formula:	C9 H14 N3 O6 P
SMILES:	O=C1N=C(N)C=CN1C2OC(CC2)COP(=O)(O)O
InChi:	InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[(2S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

DOE

DOE
Name:	(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE
Formula:	C27 H41 N5 O10 S
SMILES:	O=C(Nc1ccc(cc1)CC2N(CCN(CCN(CCN(CC(=O)O)C2)CC(=O)O)CC(=O)O)CC(=O)O)CSCCO
InChi:	InChI=1S/C27H41N5O10S/c33-11-12-43-19-23(34)28-21-3-1-20(2-4-21)13-22-14-31(17-26(39)40)8-7-29(15-24(35)36)5-6-30(16-25(37)38)9-10-32(22)18-27(41)42/h1-4,22,33H,5-19H2,(H,28,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)/t22-/m0/s1
Definition date:	2002-12-12
Last modified:	2011-06-04
Identifier:	2,2',2'',2'''-{(2S)-2-[4-({[(2-hydroxyethyl)sulfanyl]acetyl}amino)benzyl]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl}tetraacetic acid

DOF

DOF
Name:	(S)-2-(4-NITROBENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE
Formula:	C23 H33 N5 O10
SMILES:	[O-][N+](=O)c1ccc(cc1)CC2N(CCN(CCN(CCN(CC(=O)O)C2)CC(=O)O)CC(=O)O)CC(=O)O
InChi:	InChI=1S/C23H33N5O10/c29-20(30)13-24-5-6-25(14-21(31)32)9-10-27(16-23(35)36)19(12-26(8-7-24)15-22(33)34)11-17-1-3-18(4-2-17)28(37)38/h1-4,19H,5-16H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t19-/m0/s1
Definition date:	2002-12-12
Last modified:	2011-06-04
Identifier:	2,2',2'',2'''-[(2S)-2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl]tetraacetic acid

DQN

DQN
Name:	DUROQUINONE
Formula:	C10 H12 O2
SMILES:	O=C1C(=C(C(=O)C(=C1C)C)C)C
InChi:	InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione

5MY

5MY
Name:	MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE
Formula:	C6 H17 O21 P5
SMILES:	O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O
InChi:	InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+
Definition date:	2010-03-31
Last modified:	2011-06-04
Identifier:	(1R,2S,3r,4R,5S,6r)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]

DRA

DRA
Name:	11-DEOXY-BETA-RHODOMYCIN
Formula:	C40 H51 N O14
SMILES:	O=C2c1cc7c(c(O)c1C(=O)c3c2cccc3O)C(OC6OC(C(OC5OC(C(OC4OC(C(=O)CC4)C)C(O)C5)C)C(N(C)C)C6)C)CC(O)(CC)C7O
InChi:	InChI=1S/C40H51NO14/c1-7-40(49)16-27(32-22(39(40)48)13-21-33(36(32)47)35(46)31-20(34(21)45)9-8-10-25(31)43)53-29-14-23(41(5)6)37(18(3)51-29)55-30-15-26(44)38(19(4)52-30)54-28-12-11-24(42)17(2)50-28/h8-10,13,17-19,23,26-30,37-39,43-44,47-49H,7,11-12,14-16H2,1-6H3/t17-,18+,19+,23+,26+,27+,28+,29+,30+,37-,38+,39-,40-/m1/s1
Definition date:	2004-09-24
Last modified:	2011-06-04
Identifier:	(1S,3R,4R)-3-ethyl-3,4,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-arabino-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside

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