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51P

51P
Name:	5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
Formula:	C16 H16 N4 O2
SMILES:	n1c(c2c(nc1N)occ2/C=C(c3ccccc3OC)C)N
InChi:	InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-
Definition date:	2008-05-23
Last modified:	2011-06-04
Identifier:	5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine

GZ2

GZ2
Name:	3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one
Formula:	C7 H9 N5 O
SMILES:	O=C2C=C(Nc1nnnn1)CCC2
InChi:	InChI=1S/C7H9N5O/c13-6-3-1-2-5(4-6)8-7-9-11-12-10-7/h4H,1-3H2,(H2,8,9,10,11,12)
Definition date:	2009-02-03
Last modified:	2011-06-04
Identifier:	3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one

H7J

H7J
Name:	N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE
Formula:	C21 H28 N4 O2
SMILES:	O=C(C(n1nnc(c1)C(NC(=O)c2ccccc2)(C)C(C)C)C/C=C/C)C
InChi:	InChI=1S/C21H28N4O2/c1-6-7-13-18(16(4)26)25-14-19(23-24-25)21(5,15(2)3)22-20(27)17-11-9-8-10-12-17/h6-12,14-15,18H,13H2,1-5H3,(H,22,27)/b7-6+/t18-,21+/m1/s1
Definition date:	2006-06-12
Last modified:	2011-06-04
Identifier:	N-[(1S)-1-{1-[(1R,3E)-1-acetylpent-3-en-1-yl]-1H-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide

HOL

HOL
Name:	ALPHA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY-5-O-PHOSPHONO-ALPHA-D-GLYCERO-PENTOFURANOSYL)OXY]PROPYLCARBAMATE
Formula:	C36 H62 N O9 P
SMILES:	O=P(O)(O)OCC5OC(OCCCNC(=O)OC3CC2=CCC1C4CCC(C(C)CCCC(C)C)C4(C)CCC1C2(C)CC3)CC5O
InChi:	InChI=1S/C36H62NO9P/c1-23(2)8-6-9-24(3)28-12-13-29-27-11-10-25-20-26(14-16-35(25,4)30(27)15-17-36(28,29)5)45-34(39)37-18-7-19-43-33-21-31(38)32(46-33)22-44-47(40,41)42/h10,23-24,26-33,38H,6-9,11-22H2,1-5H3,(H,37,39)(H2,40,41,42)/t24-,26+,27+,28-,29+,30+,31+,32-,33+,35+,36-/m1/s1
Definition date:	2004-03-18
Last modified:	2011-06-04
Identifier:	(3alpha,8alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranosyl)oxy]propyl}carbamate

HOS

HOS
Name:	Phomopsin A
Formula:	C36 H45 Cl N6 O12
SMILES:	O=C(O)C=C(/C(=O)O)NC(=O)/C(=C(/C)CC)NC(=O)C3C=CCN3C(=O)C1NC(=O)C(NC(=O)C(NC)C(O)c2cc(OC1(C)CC)c(O)c(Cl)c2)C(=C)C
InChi:	InChI=1S/C36H45ClN6O12/c1-8-17(5)25(32(50)39-20(35(53)54)15-23(44)45)41-30(48)21-11-10-12-43(21)34(52)29-36(6,9-2)55-22-14-18(13-19(37)28(22)47)27(46)26(38-7)33(51)40-24(16(3)4)31(49)42-29/h10-11,13-15,21,24,26-27,29,38,46-47H,3,8-9,12H2,1-2,4-7H3,(H,39,50)(H,40,51)(H,41,48)(H,42,49)(H,44,45)(H,53,54)/b20-15+,25-17+/t21-,24-,26-,27-,29+,36+/m0/s1
Definition date:	2008-07-22
Last modified:	2011-06-04
Identifier:	(2E)-2-{[(2E)-2-({[(2S)-1-{[(3R,4S,7S,10S,11S)-14-chloro-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-7-(1-methylethenyl)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]carbonyl}-2,5-dihydro-1H-pyrrol-2-yl]carbonyl}amino)-3-methylpent-2-enoyl]amino}but-2-enedioic acid

HYE

HYE
Name:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde
Formula:	C15 H23 N O5
SMILES:	O=CC1(NC(=O)C(C1(O)C)CCO)C(O)C2C=CCCC2
InChi:	InChI=1S/C15H23NO5/c1-14(21)11(7-8-17)13(20)16-15(14,9-18)12(19)10-5-3-2-4-6-10/h3,5,9-12,17,19,21H,2,4,6-8H2,1H3,(H,16,20)/t10-,11+,12+,14+,15-/m1/s1
Definition date:	2009-06-23
Last modified:	2011-06-04
Identifier:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde

NCZ

NCZ
Name:	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-CYCLOPENT-3-ENYL ESTER
Formula:	C18 H18 O6
SMILES:	O=C(OC1C(O)C=CC1O)c3c2cc(OC)cc(c2ccc3O)C
InChi:	InChI=1S/C18H18O6/c1-9-7-10(23-2)8-12-11(9)3-4-13(19)16(12)18(22)24-17-14(20)5-6-15(17)21/h3-8,14-15,17,19-21H,1-2H3/t14-,15+,17+
Definition date:	2002-05-23
Last modified:	2011-06-04
Identifier:	(1r,2R,5S)-2,5-dihydroxycyclopent-3-en-1-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate

NDR

NDR
Name:	(14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one
Formula:	C20 H26 O2
SMILES:	C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C
InChi:	InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
Definition date:	2004-03-24
Last modified:	2011-06-04
Identifier:	(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

NFP

NFP
Name:	(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
Formula:	C17 H19 N O2 S
SMILES:	O=S(=O)(/C=C/C(N)CCc1ccccc1)c2ccccc2
InChi:	InChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/t16-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine

673

673
Name:	N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine
Formula:	C21 H27 N O
SMILES:	CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2
InChi:	InChI=1S/C21H27NO/c1-4-9-20-16-19(18-10-6-5-7-11-18)12-13-21(20)23-15-8-14-22-17(2)3/h4-7,10-13,16-17,22H,1,8-9,14-15H2,2-3H3
Definition date:	2010-01-29
Last modified:	2011-06-04
Identifier:	N-[3-(4-phenyl-2-prop-2-enyl-phenoxy)propyl]propan-2-amine

689

689
Name:	4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
Formula:	C18 H24 O3
SMILES:	Oc1ccc(cc1)C2OCC3(C(C=C(C2C3C)C)C)CO
InChi:	InChI=1S/C18H24O3/c1-11-8-12(2)18(9-19)10-21-17(16(11)13(18)3)14-4-6-15(20)7-5-14/h4-8,12-13,16-17,19-20H,9-10H2,1-3H3/t12-,13-,16+,17+,18-/m0/s1
Definition date:	2005-05-16
Last modified:	2011-06-04
Identifier:	4-[(1S,2S,5S,6S,9S)-5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

ERG

ERG
Name:	ERGOSTEROL
Formula:	C28 H44 O
SMILES:	OC4CCC3(C(=CC=C1C3CCC2(C(C(/C=C/C(C)C(C)C)C)CCC12)C)C4)C
InChi:	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3beta,14beta,17alpha,22E)-ergosta-5,7,22-trien-3-ol

EUD

EUD
Name:	EUDESMANE CATION
Formula:	C15 H26
SMILES:	C=C(C1CCC2(CCCC(C2C1)C)C)C
InChi:	InChI=1S/C15H26/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h12-14H,1,5-10H2,2-4H3/t12-,13+,14+,15-/m1/s1
Definition date:	2000-06-12
Last modified:	2011-06-04
Identifier:	(1R,4aR,7S,8aS)-1,4a-dimethyl-7-(1-methylethenyl)decahydronaphthalene

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

LVS

LVS
Name:	4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE
Formula:	C28 H43 I N4 O8 S
SMILES:	O=[N+]([O-])c1cc(cc(I)c1O)CC(=O)NC(C(=O)NC(C(=O)NC(C=C/S(=O)(=O)C)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C28H43IN4O8S/c1-16(2)10-20(8-9-42(7,40)41)30-27(36)23(12-18(5)6)32-28(37)22(11-17(3)4)31-25(34)15-19-13-21(29)26(35)24(14-19)33(38)39/h8-9,13-14,16-18,20,22-23,35H,10-12,15H2,1-7H3,(H,30,36)(H,31,34)(H,32,37)/t20-,22+,23+/m1/s1
Definition date:	2002-03-04
Last modified:	2011-06-04
Identifier:	N-[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]-L-leucyl-N-{(1S)-3-methyl-1-[(Z)-2-(methylsulfonyl)ethenyl]butyl}-L-leucinamide

LYL

LYL
Name:	2-ALLYL-6-METHYL-PHENOL
Formula:	C10 H12 O
SMILES:	Oc1c(cccc1C/C=C)C
InChi:	InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3
Definition date:	2003-03-28
Last modified:	2011-06-04
Identifier:	2-methyl-6-prop-2-en-1-ylphenol

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

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

M66

M66
Name:	(1R,2S,5S)-3-{(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[({(1S)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-N-{(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C40 H58 N6 O6
SMILES:	CCC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[CH](NC(=O)N[CH](CN3CCCCC3=O)C(C)(C)C)C4Cc5ccccc5C4)C2(C)C)C(=O)C(=O)NCC=C
InChi:	InChI=1S/C40H58N6O6/c1-8-14-28(34(48)36(50)41-18-9-2)42-35(49)33-31-27(40(31,6)7)22-46(33)37(51)32(26-20-24-15-10-11-16-25(24)21-26)44-38(52)43-29(39(3,4)5)23-45-19-13-12-17-30(45)47/h9-11,15-16,26-29,31-33H,2,8,12-14,17-23H2,1,3-7H3,(H,41,50)(H,42,49)(H2,43,44,52)/t27-,28-,29+,31-,32-,33-/m0/s1
Definition date:	2010-01-04
Last modified:	2011-06-04
Identifier:	(1R,2S,5S)-3-[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]ethanoyl]-N-[(3S)-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

DPX

DPX
Name:	MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER
Formula:	C11 H20 N4 O8 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCC(O)C(/S)=C(/NCc1cnc(nc1N)C)C
InChi:	InChI=1S/C11H20N4O8P2S/c1-6(13-3-8-4-14-7(2)15-11(8)12)10(26)9(16)5-22-25(20,21)23-24(17,18)19/h4,9,13,16,26H,3,5H2,1-2H3,(H,20,21)(H2,12,14,15)(H2,17,18,19)/b10-6-/t9-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R,3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-2-hydroxy-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate

DTF

DTF
Name:	4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID
Formula:	C37 H45 N4 O7 P
SMILES:	O=P(O)(O)Cc1ccc(cc1)C2C=CCC(CNC(=O)C(NC(=O)C3(NC(=O)C2)CCCCC3)CC(=O)N)Cc5c4ccccc4ccc5
InChi:	InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1
Definition date:	2005-03-28
Last modified:	2011-06-04
Identifier:	{4-[(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzyl}phosphonic acid

MYP

MYP
Name:	4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE
Formula:	C31 H42 N4 O5 S
SMILES:	O=S(=O)(c1ccccc1)/C=C/C(NC(=O)C(NC(=O)N3CCC(N2CCOCC2)CC3)Cc4ccccc4)CCC
InChi:	InChI=1S/C31H42N4O5S/c1-2-9-26(16-23-41(38,39)28-12-7-4-8-13-28)32-30(36)29(24-25-10-5-3-6-11-25)33-31(37)35-17-14-27(15-18-35)34-19-21-40-22-20-34/h3-8,10-13,16,23,26-27,29H,2,9,14-15,17-22,24H2,1H3,(H,32,36)(H,33,37)/t26-,29-/m0/s1
Definition date:	2002-10-07
Last modified:	2011-06-04
Identifier:	Nalpha-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}-L-phenylalaninamide

NQI

NQI
Name:	N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE
Formula:	C28 H40 N8 O7
SMILES:	O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CC=C
InChi:	InChI=1S/C28H40N8O7/c1-3-8-19(35-27(42)22(37)14-23(38)43-4-2)25(40)34-20(11-7-12-32-28(30)31)26(41)36-21(24(29)39)13-16-15-33-18-10-6-5-9-17(16)18/h3,5-6,9-10,15,19-22,33,37H,1,4,7-8,11-14H2,2H3,(H2,29,39)(H,34,40)(H,35,42)(H,36,41)(H4,30,31,32)/t19-,20-,21-,22+/m0/s1
Definition date:	2006-11-09
Last modified:	2011-06-04
Identifier:	N~2~-[(2S)-2-{[(2R)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-L-arginyl-L-tryptophanamide

NRB

NRB
Name:	NARBOMYCIN
Formula:	C28 H47 N O7
SMILES:	O=C2C(C(OC1OC(CC(N(C)C)C1O)C)C(C)CC(C(=O)C=CC(C)C(OC(=O)C2C)CC)C)C
InChi:	InChI=1S/C28H47NO7/c1-10-23-15(2)11-12-22(30)16(3)13-17(4)26(19(6)24(31)20(7)27(33)35-23)36-28-25(32)21(29(8)9)14-18(5)34-28/h11-12,15-21,23,25-26,28,32H,10,13-14H2,1-9H3/b12-11+/t15-,16-,17+,18+,19-,20-,21-,23-,25-,26+,28-/m1/s1
Definition date:	2005-11-29
Last modified:	2011-06-04
Identifier:	(3R,5S,6S,7S,9R,11E,13R,14R)-14-ethyl-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-L-lyxo-hexopyranoside

NRO

NRO
Name:	3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
Formula:	C16 H15 N O5
SMILES:	[O-][N+](=O)/C(=Cc1oc(cc1)c2cccc(C(=O)O)c2)CCC
InChi:	InChI=1S/C16H15NO5/c1-2-4-13(17(20)21)10-14-7-8-15(22-14)11-5-3-6-12(9-11)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)/b13-10-
Definition date:	2008-03-17
Last modified:	2011-06-04
Identifier:	3-{5-[(1Z)-2-nitropent-1-en-1-yl]furan-2-yl}benzoic acid

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