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VLZ

VLZ
Name:	1,3-dihydroxypropan-2-yl dodecanoate
Formula:	C15 H30 O4
SMILES:	O(C(CO)CO)C(=O)CCCCCCCCCCC
InChi:	InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-14(12-16)13-17/h14,16-17H,2-13H2,1H3
Synonyms:	2-lauroylglycerol
Definition date:	2020-09-15
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	1,3-dihydroxypropan-2-yl dodecanoate

OP5

OP5
Name:	(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
Formula:	C44 H69 N O13
SMILES:	CO[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O)[CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH](C[CH](C)CC(=C[CH](CC(C)=O)C(=O)C[CH](O)[CH]2C)C)OC)[CH](C[CH]4C)OC
InChi:	InChI=1S/C44H69NO13/c1-24-16-25(2)18-37(55-8)40-38(56-9)20-27(4)44(53,58-40)41(50)42(51)45-15-11-10-12-32(45)43(52)57-39(26(3)19-30-13-14-33(47)36(22-30)54-7)29(6)34(48)23-35(49)31(17-24)21-28(5)46/h17,19,25,27,29-34,36-40,47-48,53H,10-16,18,20-23H2,1-9H3/b24-17+,26-19+/t25-,27+,29+,30-,31-,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
Definition date:	2020-03-25
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone

OP8

OP8
Name:	(1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone
Formula:	C43 H69 N O13
SMILES:	CC[CH]1[CH]2O[C]2(C)C[CH](C)C[CH](OC)[CH]3O[C](O)([CH](C)C[CH]3OC)C(=O)C(=O)N4CCCC[CH]4C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(C)=C[CH]5CC[CH](O)[CH](C5)OC
InChi:	InChI=1S/C43H69NO13/c1-10-28-32(47)21-31(46)26(5)36(24(3)18-27-14-15-30(45)33(20-27)52-7)55-41(50)29-13-11-12-16-44(29)40(49)38(48)43(51)25(4)19-35(54-9)37(56-43)34(53-8)17-23(2)22-42(6)39(28)57-42/h18,23,25-31,33-37,39,45-46,51H,10-17,19-22H2,1-9H3/b24-18+/t23-,25-,26-,27+,28+,29+,30-,31+,33-,34+,35+,36-,37-,39-,42-,43-/m1/s1
Definition date:	2020-03-25
Last modified:	2021-03-05
Release date:	2021-03-10

SEV

SEV
Name:	3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
Formula:	C20 H16 F2 N2 O4 S
SMILES:	COc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)cc1
InChi:	InChI=1S/C20H16F2N2O4S/c1-28-18-7-5-16(6-8-18)24-29(26,27)19-4-2-3-17(12-19)23-20(25)13-9-14(21)11-15(22)10-13/h2-12,24H,1H3,(H,23,25)
Definition date:	2020-03-08
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

R7Z

R7Z
Name:	~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
Formula:	C21 H23 F N2 O3
SMILES:	CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O)c3cccc(F)c3C
InChi:	InChI=1S/C21H23FN2O3/c1-3-6-18(20(26)13-7-4-9-16(22)12(13)2)24-21(27)14-8-5-10-17-15(14)11-19(25)23-17/h4-5,7-10,18,20,26H,3,6,11H2,1-2H3,(H,23,25)(H,24,27)/t18-,20+/m1/s1
Definition date:	2020-09-17
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide

NJX

NJX
Name:	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione
Formula:	C23 H26 N2 O5 Si
SMILES:	CN1C(=O)N(CC#C[Si](C)(C)C)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O
InChi:	InChI=1S/C23H26N2O5Si/c1-14-15(21(28)20-17(26)8-6-9-18(20)27)10-11-16-19(14)22(29)25(23(30)24(16)2)12-7-13-31(3,4)5/h10-11,26H,6,8-9,12H2,1-5H3
Definition date:	2020-03-19
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione

SJD

SJD
Name:	3,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide
Formula:	C20 H15 F3 N2 O4 S
SMILES:	COc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)c(F)c1
InChi:	InChI=1S/C20H15F3N2O4S/c1-29-16-5-6-19(18(23)11-16)25-30(27,28)17-4-2-3-15(10-17)24-20(26)12-7-13(21)9-14(22)8-12/h2-11,25H,1H3,(H,24,26)
Definition date:	2020-03-09
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	3,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide

SJY

SJY
Name:	2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid
Formula:	C17 H12 O3 S
SMILES:	Cc1ccc2oc(C#Cc3sccc3)c(CC(O)=O)c2c1
InChi:	InChI=1S/C17H12O3S/c1-11-4-6-15-13(9-11)14(10-17(18)19)16(20-15)7-5-12-3-2-8-21-12/h2-4,6,8-9H,10H2,1H3,(H,18,19)
Definition date:	2020-03-10
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid

EZF

EZF
Name:	methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
Formula:	C28 H31 Cl N6 O4
SMILES:	COC(=O)c1ccc(CN2CCC(O)(CC2)CN3C=Nc4c(nn(C)c4c5ccc(CN)cc5)C3=O)c(Cl)c1
InChi:	InChI=1S/C28H31ClN6O4/c1-33-25(19-5-3-18(14-30)4-6-19)23-24(32-33)26(36)35(17-31-23)16-28(38)9-11-34(12-10-28)15-21-8-7-20(13-22(21)29)27(37)39-2/h3-8,13,17,38H,9-12,14-16,30H2,1-2H3
Definition date:	2020-02-27
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate

FGO

FGO
Name:	[(1S,3R,3aR,6aS)-3-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
Formula:	C22 H28 N7 O13 P
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](O[CH]4CO)N5C=CC(=O)NC5=O)[CH]6CC(O)(O)C[CH]36
InChi:	InChI=1S/C22H28N7O13P/c23-20-26-16-13(17(33)27-20)24-7-29(16)18-9-4-22(35,36)3-8(9)11(41-18)6-39-43(37,38)42-15-10(5-30)40-19(14(15)32)28-2-1-12(31)25-21(28)34/h1-2,7-11,14-15,18-19,30,32,35-36H,3-6H2,(H,37,38)(H,25,31,34)(H3,23,26,27,33)/t8-,9+,10+,11+,14+,15+,18+,19+/m0/s1
Definition date:	2020-05-12
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	[(1~{S},3~{R},3~{a}~{R},6~{a}~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3~{a},4,6,6~{a}-hexahydrocyclopenta[c]furan-1-yl]methyl [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate

G6L

G6L
Name:	(6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Formula:	C10 H17 N3 S
SMILES:	CCCN[CH]1CCc2nc(N)sc2C1
InChi:	InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
Definition date:	2020-07-31
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(6~{S})-~{N}6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

G6O

G6O
Name:	(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol
Formula:	C14 H19 N O3
SMILES:	CCCN1CCO[CH]2[CH]1COc3ccc(O)cc23
InChi:	InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
Definition date:	2020-07-31
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(4~{a}~{R},10~{b}~{R})-4-propyl-3,4~{a},5,10~{b}-tetrahydro-2~{H}-chromeno[4,3-b][1,4]oxazin-9-ol

H3C

H3C
Name:	N-[3-[(4S)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
Formula:	C18 H14 F N5 O S
SMILES:	C[C]1(C=CSC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F
InChi:	InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
Definition date:	2020-10-29
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	~{N}-[3-[(4~{S})-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide

HNX

HNX
Name:	(2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
Formula:	C22 H21 N O3
SMILES:	N[C]1(CCc2ccc(OCc3cccc4ccccc34)cc2C1)C(O)=O
InChi:	InChI=1S/C22H21NO3/c23-22(21(24)25)11-10-15-8-9-19(12-18(15)13-22)26-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-9,12H,10-11,13-14,23H2,(H,24,25)/t22-/m0/s1
Definition date:	2021-01-22
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid

HO0

HO0
Name:	(2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
Formula:	C24 H23 N O3
SMILES:	N[C]1(CCc2ccc(OCc3ccccc3c4ccccc4)cc2C1)C(O)=O
InChi:	InChI=1S/C24H23NO3/c25-24(23(26)27)13-12-17-10-11-21(14-20(17)15-24)28-16-19-8-4-5-9-22(19)18-6-2-1-3-7-18/h1-11,14H,12-13,15-16,25H2,(H,26,27)/t24-/m0/s1
Definition date:	2021-01-22
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid

HO9

HO9
Name:	(2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
Formula:	C25 H22 N2 O4
SMILES:	N[C]1(CCc2ccc(OCc3ccccc3c4oc5ccccc5n4)cc2C1)C(O)=O
InChi:	InChI=1S/C25H22N2O4/c26-25(24(28)29)12-11-16-9-10-19(13-18(16)14-25)30-15-17-5-1-2-6-20(17)23-27-21-7-3-4-8-22(21)31-23/h1-10,13H,11-12,14-15,26H2,(H,28,29)/t25-/m0/s1
Definition date:	2021-01-22
Last modified:	2021-03-05
Release date:	2021-03-10
Identifier:	(2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid

10M

10M
Name:	decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside
Formula:	C22 H42 O10 S
SMILES:	S(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:	InChI=1S/C22H42O10S/c1-2-3-4-5-6-7-8-9-10-33-22-19(29)17(27)20(14(12-24)31-22)32-21-18(28)16(26)15(25)13(11-23)30-21/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22+/m1/s1
Synonyms:	(2R,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6S)-6-Decylsulfanyl-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol, n-Decyl-beta-D-thiomaltoside
Definition date:	2008-02-07
Last modified:	2021-03-03
Identifier:	decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside

46D

46D
Name:	(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-CARBOXY-TETRAHYDRO-4,5,6-TRIHYDROXY-2H-PYRAN-2-YLOXY)-HEXAHYDRO-6,7-DIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-2-CARBOXYLIC ACID)
Formula:	C15 H22 O14
SMILES:	O=C(O)C3OC(O)C(O)C(O)C3OC1OC2COC(OC2C(O)C1O)(C(=O)O)C
InChi:	InChI=1S/C15H22O14/c1-15(14(23)24)25-2-3-8(29-15)5(17)7(19)13(26-3)28-9-4(16)6(18)12(22)27-10(9)11(20)21/h3-10,12-13,16-19,22H,2H2,1H3,(H,20,21)(H,23,24)/t3-,4-,5-,6-,7+,8-,9+,10+,12?,13+,15+/m1/s1
Synonyms:	4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE-(1->
Definition date:	2005-04-11
Last modified:	2021-03-03
Identifier:	4-O-{4,6-O-[(1S)-1-carboxyethylidene]-beta-D-mannopyranosyl}-beta-D-glucopyranuronic acid

18Y

18Y
Name:	Trioxacarcin A analogue, bound form
Formula:	C33 H40 O14
SMILES:	O=C(C)C1(O)C(O)CC(OC1C)OC57Oc2c(c(cc4c2c(O)c3C(=O)CCCc3c4OC)C)C6OC(OC56)(C(OC)OC)C7(O)C
InChi:	InChI=1S/C33H40O14/c1-13-11-17-23(24(37)22-16(25(17)40-5)9-8-10-18(22)35)26-21(13)27-28-32(45-26,30(4,38)33(46-27,47-28)29(41-6)42-7)44-20-12-19(36)31(39,14(2)34)15(3)43-20/h11,15,19-20,27-29,36-39H,8-10,12H2,1-7H3/t15-,19+,20-,27-,28-,30-,31+,32+,33-/m0/s1
Synonyms:	(1S,2R,3aS,4S,13aS)-2-(dimethoxymethyl)-1,12-dihydroxy-7-methoxy-1,5-dimethyl-11-oxo-1,2,3a,4,8,9,10,11-octahydro-13aH-2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromen-13a-yl 4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoside
Definition date:	2012-11-08
Last modified:	2021-03-03
Release date:	2013-10-23
Identifier:	(1S,2R,3aS,4S,13aS)-2-(dimethoxymethyl)-1,12-dihydroxy-7-methoxy-1,5-dimethyl-11-oxo-1,2,3a,4,8,9,10,11-octahydro-13aH-2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromen-13a-yl 4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoside

RKE

RKE
Name:	(R)-ketamine
Formula:	C13 H16 Cl N O
SMILES:	Clc1c(cccc1)C2(NC)C(=O)CCCC2
InChi:	InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1
Synonyms:	(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone
Definition date:	2011-05-02
Last modified:	2021-03-01
Release date:	2012-08-24
Identifier:	(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone

US2

US2
Name:	2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate)
Formula:	C10 H15 N2 O8 P S
SMILES:	O=C1NC(=O)N(C=C1SC)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C10H15N2O8PS/c1-22-7-3-12(10(15)11-9(7)14)8-2-5(13)6(20-8)4-19-21(16,17)18/h3,5-6,8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,8+/m0/s1
Synonyms:	5-SMe-deoxyuridine-5'-phosphate
Definition date:	2009-06-10
Last modified:	2021-03-01
Identifier:	2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate)

N32

N32
Name:	2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
Formula:	C24 H27 N O6
SMILES:	O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C(=O)C=CC42CCC(/C(=C)C2)CC34)C
InChi:	InChI=1S/C24H27NO6/c1-13-12-24-9-5-14(13)11-17(24)23(2,18(27)6-10-24)8-7-19(28)25-20-16(26)4-3-15(21(20)29)22(30)31/h3-4,6,10,14,17,26,29H,1,5,7-9,11-12H2,2H3,(H,25,28)(H,30,31)/t14-,17-,23-,24+/m0/s1
Synonyms:	Platencin
Definition date:	2009-06-02
Last modified:	2021-03-01
Identifier:	2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid

US3

US3
Name:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one
Formula:	C10 H15 N2 O7 P Se
SMILES:	O=P(O)(O)OCC2OC(N1C(=NC(=O)C(=C1)C)[SeH])CC2O
InChi:	InChI=1S/C10H15N2O7PSe/c1-5-3-12(10(21)11-9(5)14)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1
Synonyms:	2-Se-Thymidine-5'-phosphate
Definition date:	2009-06-15
Last modified:	2021-03-01
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one

OBE

OBE
Name:	3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
Formula:	C16 H19 N O5
SMILES:	[O-]C(=O)C3C1[NH+](C)C(CC1)CC3OC(=O)c2cccc(O)c2
InChi:	InChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1
Synonyms:	META-OXYBENZOYLECGONINE
Definition date:	2003-11-20
Last modified:	2021-03-01
Identifier:	(1R,2R,3S,5S,8S)-3-{[(3-hydroxyphenyl)carbonyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate

ZXY

ZXY
Name:	N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide
Formula:	C32 H30 N2 O11
SMILES:	N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O
InChi:	InChI=1S/C32H30N2O11/c35-19-15-25(40)28-26(16-19)45-30(18-6-8-22(37)24(39)14-18)31(29(28)42)44-12-2-10-33-32(43)20-3-1-11-34(20)27(41)9-5-17-4-7-21(36)23(38)13-17/h4-9,13-16,20,35-40H,1-3,10-12H2,(H,33,43)/b9-5+/t20-/m0/s1
Synonyms:	Montbretin A analogue M06-MbA
Definition date:	2019-03-25
Last modified:	2021-03-01
Release date:	2020-02-12
Identifier:	N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide

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