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JTH

JTH
Name:	2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
Formula:	C10 H12 O3
SMILES:	O=C1C(O)=CC=C(C=C1O)C(C)C
InChi:	InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
Synonyms:	beta-thujaplicinol
Definition date:	2009-07-29
Last modified:	2020-06-17
Identifier:	2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one

3XY

3XY
Name:	5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
Formula:	C23 H21 F3 N6 S
SMILES:	N#Cc2nc1ccc(cc1c2)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5
InChi:	InChI=1S/C23H21F3N6S/c24-23(25,26)10-18-9-19-21(28-13-29-22(19)33-18)31-16-3-5-32(6-4-16)12-14-1-2-20-15(7-14)8-17(11-27)30-20/h1-2,7-9,13,16,30H,3-6,10,12H2,(H,28,29,31)
Synonyms:	MI-136
Definition date:	2014-12-08
Last modified:	2020-06-17
Release date:	2015-04-15
Identifier:	5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

JTP

JTP
Name:	N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE
Formula:	C27 H30 N2 O4
SMILES:	O=C(O)C(NC(=O)c5cc1c(c(c2n1CCOc3ccccc23)C4CCCCC4)cc5)(C)C
InChi:	InChI=1S/C27H30N2O4/c1-27(2,26(31)32)28-25(30)18-12-13-19-21(16-18)29-14-15-33-22-11-7-6-10-20(22)24(29)23(19)17-8-4-3-5-9-17/h6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3,(H,28,30)(H,31,32)
Synonyms:	2-[(12-CYCLOHEXYL-6,7-DIHYDRO-5-OXA-7A-AZA-DIBENZO[A,E]AZULENE-9-CARBONYL)-AMINO]-2-METHYL-PROPIONIC ACID
Definition date:	2006-09-01
Last modified:	2020-06-17
Identifier:	N-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-D-alanine

JUG

JUG
Name:	5-hydroxynaphthalene-1,4-dione
Formula:	C10 H6 O3
SMILES:	O=C2c1c(c(O)ccc1)C(=O)C=C2
InChi:	InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
Synonyms:	Juglone
Definition date:	2007-11-01
Last modified:	2020-06-17
Identifier:	5-hydroxynaphthalene-1,4-dione

JUV

JUV
Name:	(2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
Formula:	C18 H16 O6
SMILES:	c2cc([C@H]=[C@H]C(=O)OC(C(O)=O)Cc1ccc(cc1)O)ccc2O
InChi:	InChI=1S/C18H16O6/c19-14-6-1-12(2-7-14)5-10-17(21)24-16(18(22)23)11-13-3-8-15(20)9-4-13/h1-10,16,19-20H,11H2,(H,22,23)/b10-5+/t16-/m1/s1
Synonyms:	4-coumaroyl-(R)-3-(4-hydroxyphenyl)lactate
Definition date:	2018-09-25
Last modified:	2020-06-17
Release date:	2019-09-11
Identifier:	(2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid

JXG

JXG
Name:	(2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
Formula:	C8 H13 N3 O6 S
SMILES:	OS(=O)(=O)ONC1CN(C(C(=C1)C)C(=O)N)C=O
InChi:	InChI=1S/C8H13N3O6S/c1-5-2-6(10-17-18(14,15)16)3-11(4-12)7(5)8(9)13/h2,4,6-7,10H,3H2,1H3,(H2,9,13)(H,14,15,16)/t6-,7+/m1/s1
Synonyms:	ETX2514 bound form
Definition date:	2018-10-09
Last modified:	2020-06-17
Release date:	2019-02-27
Identifier:	(2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide

JY
Name:	3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL
Formula:	C28 H38 O2
SMILES:	OC4CC(=C/C=C2CCCC3(C)C(C(C)Cc1cccc(O)c1)CCC23)/C(=C)CC4
InChi:	InChI=1S/C28H38O2/c1-19-9-12-25(30)18-23(19)11-10-22-7-5-15-28(3)26(13-14-27(22)28)20(2)16-21-6-4-8-24(29)17-21/h4,6,8,10-11,17,20,25-27,29-30H,1,5,7,9,12-16,18H2,2-3H3/b22-10+,23-11-/t20-,25+,26-,27+,28-/m1/s1
Synonyms:	22-(M-HYDROXYPHENYL)-23,24,25,26,27-PENTANOR VITAMIN D3
Definition date:	2001-06-06
Last modified:	2020-06-17
Identifier:	3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propyl}phenol (non-preferred name)

JYD

JYD
Name:	(2S)-2-sulfanylbutanedioic acid
Formula:	C4 H6 O4 S
SMILES:	C(C(=O)O)C(S)C(O)=O
InChi:	InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1
Synonyms:	thiomalate
Definition date:	2018-10-18
Last modified:	2020-06-17
Release date:	2019-01-30
Identifier:	(2S)-2-sulfanylbutanedioic acid

JZA

JZA
Name:	4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine
Formula:	C7 H12 N2 O4 S
SMILES:	O=C(N1CCOCC1)N2CCS2(=O)=O
InChi:	InChI=1S/C7H12N2O4S/c10-7(8-1-4-13-5-2-8)9-3-6-14(9,11)12/h1-6H2
Synonyms:	beta-sultam
Definition date:	2009-08-10
Last modified:	2020-06-17
Identifier:	(1,1-dioxido-1,2-thiazetidin-2-yl)(morpholin-4-yl)methanone

JZQ

JZQ
Name:	(4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Formula:	C33 H35 F2 N3 O6 S
SMILES:	O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(F)cccc3F)Cc4ccccc4)CSC5(C)C
InChi:	InChI=1S/C33H35F2N3O6S/c1-33(2)30(31(42)37-27-21-12-7-6-11-20(21)16-25(27)39)38(18-45-33)32(43)28(41)24(15-19-9-4-3-5-10-19)36-26(40)17-44-29-22(34)13-8-14-23(29)35/h3-14,24-25,27-28,30,39,41H,15-18H2,1-2H3,(H,36,40)(H,37,42)/t24-,25+,27-,28-,30+/m0/s1
Synonyms:	KNI-10265
Definition date:	2009-10-23
Last modified:	2020-06-17
Identifier:	(4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

DX5

DX5
Name:	D-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+/m0/s1
Synonyms:	D-HYLITOL-5-PHOSPHATE
Definition date:	2006-01-24
Last modified:	2020-06-17
Identifier:	5-O-phosphono-D-xylitol

DXC

DXC
Name:	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID
Formula:	C24 H40 O4
SMILES:	O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C
InChi:	InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
Synonyms:	DEOXYCHOLIC ACID
Definition date:	2000-06-26
Last modified:	2020-06-17
Identifier:	(3alpha,5alpha,8alpha,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid

DXL

DXL
Name:	D-xylaric acid
Formula:	C5 H8 O7
SMILES:	O=C(O)C(O)C(O)C(O)C(=O)O
InChi:	InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t1-,2-,3+
Synonyms:	m-Xylarate
Definition date:	2010-09-27
Last modified:	2020-06-17
Identifier:	D-xylaric acid

DXU

DXU
Name:	(3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide
Formula:	C19 H25 Cl2 N3 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(O)O)(C)C)C3C(c2c(Cl)cccc2Cl)NOC3C
InChi:	InChI=1S/C19H25Cl2N3O5S/c1-8-12(14(24-29-8)13-9(20)5-4-6-10(13)21)16(26)22-11(7-25)17-23-15(18(27)28)19(2,3)30-17/h4-8,11-12,14-15,17-18,23-24,27-28H,1-3H3,(H,22,26)/t8-,11-,12+,14-,15+,17-/m1/s1
Synonyms:	dicloxacillin - open form
Definition date:	2014-08-25
Last modified:	2020-06-17
Release date:	2014-09-17
Identifier:	(3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}-5-methyl-1,2-oxazolidine-4-carboxamide

DZN

DZN
Name:	DAIDZIN
Formula:	C21 H20 O9
SMILES:	O=C3c4ccc(OC1OC(C(O)C(O)C1O)CO)cc4OC=C3c2ccc(O)cc2
InChi:	InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
Synonyms:	4',7-DIHYDROXYISOFLAVONE
Definition date:	2003-04-08
Last modified:	2020-06-17
Identifier:	3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside

E14

E14
Name:	(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
Formula:	C34 H49 N5 O5 S
SMILES:	O=C(NCC(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C
InChi:	InChI=1S/C34H49N5O5S/c1-21(2)19-36-31(43)28-34(6,7)45-20-39(28)32(44)26(40)24(18-22-14-10-8-11-15-22)37-30(42)27(33(3,4)5)38-29(41)25(35)23-16-12-9-13-17-23/h8-17,21,24-28,40H,18-20,35H2,1-7H3,(H,36,43)(H,37,42)(H,38,41)/t24-,25-,26-,27+,28+/m0/s1
Synonyms:	KNI-10673
Definition date:	2010-02-05
Last modified:	2020-06-17
Identifier:	N~2~-[(2S)-2-amino-2-phenylacetyl]-N-[(2S,3S)-4-{(4R)-5,5-dimethyl-4-[(2-methylpropyl)carbamoyl]-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-L-valinamide

E15

E15
Name:	(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
Formula:	C35 H51 N5 O5 S
SMILES:	O=C(NC(C)C(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C
InChi:	InChI=1S/C35H51N5O5S/c1-21(2)22(3)37-32(44)29-35(7,8)46-20-40(29)33(45)27(41)25(19-23-15-11-9-12-16-23)38-31(43)28(34(4,5)6)39-30(42)26(36)24-17-13-10-14-18-24/h9-18,21-22,25-29,41H,19-20,36H2,1-8H3,(H,37,44)(H,38,43)(H,39,42)/t22-,25+,26+,27+,28-,29-/m1/s1
Synonyms:	KNI-10681
Definition date:	2010-02-05
Last modified:	2020-06-17
Identifier:	N~2~-[(2S)-2-amino-2-phenylacetyl]-N-{(2S,3S)-4-[(4R)-5,5-dimethyl-4-{[(2R)-3-methylbutan-2-yl]carbamoyl}-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-L-valinamide

E16

E16
Name:	(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Formula:	C36 H53 N5 O5 S
SMILES:	O=C(NC(C)C(C)(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C
InChi:	InChI=1S/C36H53N5O5S/c1-22(34(2,3)4)38-32(45)29-36(8,9)47-21-41(29)33(46)27(42)25(20-23-16-12-10-13-17-23)39-31(44)28(35(5,6)7)40-30(43)26(37)24-18-14-11-15-19-24/h10-19,22,25-29,42H,20-21,37H2,1-9H3,(H,38,45)(H,39,44)(H,40,43)/t22-,25+,26+,27+,28-,29-/m1/s1
Synonyms:	KNI-10683
Definition date:	2010-02-05
Last modified:	2020-06-17
Identifier:	N~2~-[(2S)-2-amino-2-phenylacetyl]-N-{(2S,3S)-4-[(4R)-4-{[(2R)-3,3-dimethylbutan-2-yl]carbamoyl}-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-L-valinamide

E1X

E1X
Name:	PHOSPHORIC ACID MONO-[5-(1-ETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]ESTER
Formula:	C12 H17 N4 O8 P
SMILES:	O=C3Nc1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)C(=O)N3CC
InChi:	InChI=1S/C12H17N4O8P/c1-2-15-11(18)9-10(14-12(15)19)16(5-13-9)8-3-6(17)7(24-8)4-23-25(20,21)22/h5-8,17H,2-4H2,1H3,(H,14,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
Synonyms:	N1-ETHYL-2'-DEOXYXANTHOSINE 5'-MONOPHOSPHATE
Definition date:	2004-05-06
Last modified:	2020-06-17
Identifier:	2'-deoxy-1-ethylxanthosine 5'-(dihydrogen phosphate)

E20

E20
Name:	1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE
Formula:	C24 H29 N O3
SMILES:	O=C2c1cc(OC)c(OC)cc1CC2CC4CCN(Cc3ccccc3)CC4
InChi:	InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1
Synonyms:	E2020
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one

E2J

E2J
Name:	6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Formula:	C27 H25 F2 N3 O S
SMILES:	C5=4N(C(C(CCN1CCC(CC1)=C(/c2ccc(cc2)F)c3ccc(F)cc3)=C(N=4)C)=O)C=CS5
InChi:	InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
Synonyms:	Ritanserin
Definition date:	2017-11-28
Last modified:	2020-06-17
Release date:	2018-02-14
Identifier:	6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3YI

3YI
Name:	(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
Formula:	C38 H47 N O13
SMILES:	c1(c4c(O)c(c3OC2(OC=CC(OC)C(C(OC(=O)C)C(C(O)C(C(O)C(C=CC=C(C(Nc1c(c(O)c4c3C2=O)C=O)=O)C)C)C)C)C)C)C)O
InChi:	InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1
Synonyms:	3-formyl rifamycin SV
Definition date:	2017-10-26
Last modified:	2020-06-17
Release date:	2018-07-18
Identifier:	(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate

3YN

3YN
Name:	[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate
Formula:	C16 H24 N2 O14 P2
SMILES:	O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3)C)O)O)C
InChi:	InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-/m1/s1
Synonyms:	TDP-4-keto-D-olivose
Definition date:	2014-12-10
Last modified:	2020-06-17
Release date:	2015-01-28
Identifier:	[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

3ZO

3ZO
Name:	2'-DEOXY-XANTHOSINE-5'-MONOPHOSPHATE
Formula:	C10 H13 N4 O8 P
SMILES:	O=P(O)(O)OCC3OC(n1cnc2c1NC(=O)NC2=O)CC3O
InChi:	InChI=1S/C10H13N4O8P/c15-4-1-6(22-5(4)2-21-23(18,19)20)14-3-11-7-8(14)12-10(17)13-9(7)16/h3-6,15H,1-2H2,(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1
Synonyms:	2'-deoxy-5'-2,3-dihydroxanthylic acid
Definition date:	2014-12-24
Last modified:	2020-06-17
Release date:	2015-10-14
Identifier:	2'-deoxy-5'-2,3-dihydroxanthylic acid

405

405
Name:	(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Formula:	C16 H16 F3 N O
SMILES:	FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2
InChi:	InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1
Synonyms:	(S)-Norfluoxetine
Definition date:	2014-12-22
Last modified:	2020-06-17
Release date:	2015-03-18
Identifier:	(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

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