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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

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

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

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

JZ0

JZ0
Name:	o-cresol
Formula:	C7 H8 O
SMILES:	Cc1ccccc1O
InChi:	InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
Synonyms:	ortho-cresol,2-methylphenol
Definition date:	2009-06-15
Last modified:	2020-06-17
Identifier:	2-methylphenol

JZ3

JZ3
Name:	Guaiacol
Formula:	C7 H8 O2
SMILES:	Oc1ccccc1OC
InChi:	InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
Synonyms:	2-methoxyphenol
Definition date:	2009-06-16
Last modified:	2020-06-17
Identifier:	2-methoxyphenol

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

H70

H70
Name:	2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL
Formula:	C10 H4 Br3 Cl2 N O
SMILES:	Brc2c(c1cc(Cl)cc(Cl)c1O)nc(Br)c2Br
InChi:	InChI=1S/C10H4Br3Cl2NO/c11-6-7(12)10(13)16-8(6)4-1-3(14)2-5(15)9(4)17/h1-2,16-17H
Synonyms:	TRIBROMODICHLOROPSEUDILIN
Definition date:	2010-08-10
Last modified:	2020-06-17
Identifier:	2,4-dichloro-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol

H8D

H8D
Name:	(8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
Formula:	C20 H25 N3 O2
SMILES:	c3ccc2C=1C(N(C)CC(C(NC(CO)CC)=O)C=1)Cc4c2c3nc4
InChi:	InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
Synonyms:	methylergonovine
Definition date:	2018-06-15
Last modified:	2020-06-17
Release date:	2018-08-29
Identifier:	(8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide

H97

H97
Name:	(1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol
Formula:	C31 H44 F6 O4
SMILES:	FC(F)(F)C(O)(C#CCC(CCCC(O)(C)C)C2CCC3C(=CC=C1CC(O)CC(O)C1)CCCC23C)C(F)(F)F
InChi:	InChI=1S/C31H44F6O4/c1-27(2,40)14-4-7-21(9-6-16-29(41,30(32,33)34)31(35,36)37)25-12-13-26-22(8-5-15-28(25,26)3)11-10-20-17-23(38)19-24(39)18-20/h10-11,21,23-26,38-41H,4-5,7-9,12-15,17-19H2,1-3H3/b22-11+/t21-,23-,24-,25-,26+,28-/m1/s1
Synonyms:	1,25-dihydroxy-20R-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalcifero l (Gemini--0097)
Definition date:	2010-07-22
Last modified:	2020-06-17
Identifier:	(1R,3R,7E,17beta)-17-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-9,10-secoestra-5,7-diene-1,3-diol

HAG

HAG
Name:	4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-FURAN-2-OL
Formula:	C19 H33 N3 O8 S
SMILES:	O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1C(OC(O)C1)CCCCC
InChi:	InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13+,14-,17+/m0/s1
Synonyms:	GSHNA
Definition date:	1999-07-27
Last modified:	2020-06-17
Identifier:	L-gamma-glutamyl-S-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-cysteinylglycine

HBC

HBC
Name:	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE
Formula:	C20 H21 N O
SMILES:	O=C(c1ccccc1)C4(N)C2CCC(C2)C4c3ccccc3
InChi:	InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1
Synonyms:	BICYCLO[2.2.1]HEPTANE
Definition date:	2001-08-06
Last modified:	2020-06-17
Identifier:	[(1R,2R,3S,4S)-2-amino-3-phenylbicyclo[2.2.1]hept-2-yl](phenyl)methanone

HBM

HBM
Name:	2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-AMIDE
Formula:	C23 H20 Cl2 N4 O4 S
SMILES:	O=S(=O)(Nc1ccc(cc1)CCNC(=O)c2ccc(O)c3nc(nc23)c4ccc(Cl)cc4Cl)C
InChi:	InChI=1S/C23H20Cl2N4O4S/c1-34(32,33)29-15-5-2-13(3-6-15)10-11-26-23(31)17-8-9-19(30)21-20(17)27-22(28-21)16-7-4-14(24)12-18(16)25/h2-9,12,29-30H,10-11H2,1H3,(H,26,31)(H,27,28)
Synonyms:	2-(2,4-DICHLOROPHENYL)-4-HYDROXY-N-(2-{4-[(METHYLSULFONYL)AMINO]PHENYL}ETHYL)-1H-BENZIMIDAZOLE-7-CARBOXAMIDE
Definition date:	2006-12-14
Last modified:	2020-06-17
Identifier:	2-(2,4-dichlorophenyl)-4-hydroxy-N-(2-{4-[(methylsulfonyl)amino]phenyl}ethyl)-1H-benzimidazole-7-carboxamide

HC2

HC2
Name:	20-HYDROXYCHOLESTEROL
Formula:	C27 H46 O2
SMILES:	OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)(C)CCCC(C)C
InChi:	InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27+/m0/s1
Synonyms:	(3BETA,20R)-CHOLEST-5-ENE-3,20-DIOL
Definition date:	2005-05-09
Last modified:	2020-06-17
Identifier:	(3beta,14beta,17alpha,20R)-cholest-5-ene-3,20-diol

HC3

HC3
Name:	25-HYDROXYCHOLESTEROL
Formula:	C27 H46 O2
SMILES:	OC(C)(C)CCCC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C
InChi:	InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
Synonyms:	(3BETA)-CHOLEST-5-ENE-3,25-DIOL
Definition date:	2005-05-10
Last modified:	2020-06-17
Identifier:	(3beta,14beta,17alpha)-cholest-5-ene-3,25-diol

HC7

HC7
Name:	(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium
Formula:	C24 H35 N2 O7 P
SMILES:	O=P(O)(O)OCC[N+](C)(C)CC(=O)c1ccc(cc1)c2ccc(cc2)C3(O)OCC[N+](C)(C)C3
InChi:	InChI=1S/C24H33N2O7P/c1-25(2,14-16-33-34(29,30)31)17-23(27)21-7-5-19(6-8-21)20-9-11-22(12-10-20)24(28)18-26(3,4)13-15-32-24/h5-12,28H,13-18H2,1-4H3/p+2/t24-/m1/s1
Synonyms:	2-{4-[4-(2-{dimethyl[2-(phosphonatooxy)ethyl]azaniumyl}acetyl)phenyl]phenyl}-2-hydroxy-4,4-dimethylmorpholin-4-ium
Definition date:	2008-12-04
Last modified:	2020-06-17
Identifier:	(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium

HCV

HCV
Name:	N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine
Formula:	C15 H27 N3 O6 S
SMILES:	O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CCS
InChi:	InChI=1S/C15H27N3O6S/c1-8(2)12(15(23)24)18-13(20)10(6-7-25)17-11(19)5-3-4-9(16)14(21)22/h8-10,12,25H,3-7,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t9-,10-,12+/m0/s1
Synonyms:	Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine
Definition date:	2013-01-24
Last modified:	2020-06-17
Release date:	2013-02-01
Identifier:	N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine

HDD

HDD
Name:	CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE
Formula:	C34 H32 Fe N4 O5
SMILES:	O=C(O)CCc1c(c2C=C7C(=C(C=C)C6=Cc5c(c(C=C)c4C=C9N3C(=Cc1n2[Fe]3(n45)N67)C8(OC(=O)CC8)C9(O)C)C)C)C
InChi:	InChI=1S/C34H32N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23
Synonyms:	HEME
Definition date:	2000-08-22
Last modified:	2020-06-17
Identifier:	{3-[(2R,5'S)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,12,14,16,18]nonaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron

HE5

HE5
Name:	ZINC(II)-DEUTEROPORPHYRIN DIMETHYLESTER
Formula:	C32 H34 N4 O4 Zn
SMILES:	COC(=O)CCc1c(C)c2C=C3C[CH](C)C4=Cc5cc(C)c6C=C7N8C(=Cc1n2[Zn]8(N34)n56)C(=C7C)CCC(=O)OC
InChi:	InChI=1S/C32H34N4O4.Zn/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22
Synonyms:	ZND-DME
Definition date:	2006-10-10
Last modified:	2020-06-17

HE7

HE7
Name:	4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
Formula:	C22 H28 O5
SMILES:	O=C(O)CCC(=O)OC4CCC3C2C(c1ccc(O)cc1CC2)CCC34C
InChi:	InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1
Synonyms:	1,3,5(10)-Estratrien-3-[(17beta)-diol]-17-hemisuccinate
Definition date:	2007-09-06
Last modified:	2020-06-17
Identifier:	4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid

HFD

HFD
Name:	2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine
Formula:	C10 H15 F N5 O13 P3
SMILES:	O=P(OCC1OC(C(C1O)O)n3c2c(c(nc(n2)F)N)nc3)(O)OP(OP(O)(O)=O)(O)=O
InChi:	InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1
Synonyms:	Fludarabine-TRIPHOSPHATE
Definition date:	2018-06-27
Last modified:	2020-06-17
Release date:	2018-10-10
Identifier:	2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine

HFS

HFS
Name:	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE
Formula:	C14 H17 N3 O3 S
SMILES:	O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3
InChi:	InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
Synonyms:	HYDROXYFASUDIL
Definition date:	2005-10-26
Last modified:	2020-06-17
Identifier:	5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-ol

HFT

HFT
Name:	HYDROXYFLUTAMIDE
Formula:	C11 H11 F3 N2 O4
SMILES:	FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(C)C
InChi:	InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
Synonyms:	2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE
Definition date:	2005-09-06
Last modified:	2020-06-17
Identifier:	2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

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