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BVT

BVT
Name:	3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid
Formula:	C47 H63 N11 O19 P2 S
SMILES:	CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN[C]3(NCCC(O)=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)O[CH]4S3)NC(=O)OCc8ccccc8
InChi:	InChI=1S/C47H63N11O19P2S/c1-25(2)55-43(65)31(18-27-19-49-29-13-7-6-12-28(27)29)56-42(64)30(57-46(66)71-20-26-10-4-3-5-11-26)14-8-9-16-53-47(54-17-15-34(59)60)76-39-37(62)33(75-45(39)80-47)22-73-79(69,70)77-78(67,68)72-21-32-36(61)38(63)44(74-32)58-24-52-35-40(48)50-23-51-41(35)58/h3-7,10-13,19,23-25,30-33,36-39,44-45,49,53-54,61-63H,8-9,14-18,20-22H2,1-2H3,(H,55,65)(H,56,64)(H,57,66)(H,59,60)(H,67,68)(H,69,70)(H2,48,50,51)/t30-,31-,32+,33+,36+,37+,38+,39+,44+,45+,47-/m0/s1
Definition date:	2017-10-18
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid

CUY

CUY
Name:	tetracosyl octadecanoate
Formula:	C42 H84 O2
SMILES:	C(CCCCCCCC)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
Definition date:	2017-10-03
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	tetracosyl octadecanoate

9UB

9UB
Name:	[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid
Formula:	C29 H51 N O11 P2
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
InChi:	InChI=1S/C29H51NO11P2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-39-43(37,38)41-42(35,36)19-26-27(30-24(6)32)29(34)28(33)25(18-31)40-26/h10,12,14,16,25-29,31,33-34H,7-9,11,13,15,17-19H2,1-6H3,(H,30,32)(H,35,36)(H,37,38)/b21-12-,22-14-,23-16-/t25-,26-,27+,28-,29-/m1/s1
Definition date:	2017-07-13
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid

9ZA

9ZA
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
Formula:	C14 H21 N6 O8 P
SMILES:	OP(=O)(OCC1C(O)C(O)C(O1)n3c2ncnc(c2nc3)N)NC(C(OC)=O)C
InChi:	InChI=1S/C14H21N6O8P/c1-6(14(23)26-2)19-29(24,25)27-3-7-9(21)10(22)13(28-7)20-5-18-8-11(15)16-4-17-12(8)20/h4-7,9-10,13,21-22H,3H2,1-2H3,(H2,15,16,17)(H2,19,24,25)/t6-,7+,9+,10+,13+/m0/s1
Definition date:	2017-06-28
Last modified:	2017-10-13
Release date:	2017-10-18
Identifier:	methyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoate (non-preferred name)

9ZD

9ZD
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{R})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
Formula:	C14 H21 N6 O8 P
SMILES:	OP(=O)(OCC1C(O)C(O)C(O1)n3c2ncnc(c2nc3)N)NC(C)C(=O)OC
InChi:	InChI=1S/C14H21N6O8P/c1-6(14(23)26-2)19-29(24,25)27-3-7-9(21)10(22)13(28-7)20-5-18-8-11(15)16-4-17-12(8)20/h4-7,9-10,13,21-22H,3H2,1-2H3,(H2,15,16,17)(H2,19,24,25)/t6-,7-,9-,10-,13-/m1/s1
Definition date:	2017-06-28
Last modified:	2017-10-13
Release date:	2017-10-18
Identifier:	methyl (2R)-2-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoate (non-preferred name)

B2E

B2E
Name:	(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine
Formula:	C9 H11 N3 O6
SMILES:	CN1C(=C(C(=O)NCC(O)=O)C(=O)N(C)C1=O)O
InChi:	InChI=1S/C9H11N3O6/c1-11-7(16)5(6(15)10-3-4(13)14)8(17)12(2)9(11)18/h16H,3H2,1-2H3,(H,10,15)(H,13,14)
Definition date:	2017-09-06
Last modified:	2017-10-13
Release date:	2017-10-18
Identifier:	2-[[1,3-dimethyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid

A8Z

A8Z
Name:	Tetrahydrodeoxycorticosterone
Formula:	C21 H34 O3
SMILES:	C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]4CC[CH](C(=O)CO)[C]4(C)CC[CH]23
InChi:	InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
Definition date:	2017-08-17
Last modified:	2017-10-06
Release date:	2017-10-11
Identifier:	1-[(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone

7LE

7LE
Name:	(5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid
Formula:	C20 H32 O4
SMILES:	[C@H](CC=C/CC(O)C(CC=[C@H]CC)O)=[C@H]C[C@H]=CCCCC(=O)O
InChi:	InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4?,9-7-,12-3-,13-10-/t18-,19-/m1/s1
Definition date:	2016-11-10
Last modified:	2017-10-06
Release date:	2017-10-11
Identifier:	(5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid

7MS

7MS
Name:	(5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
Formula:	C20 H32 O4
SMILES:	CCC(O)C(O)C[C@H]=CC[C@H]=[C@H]C[C@H]=[C@H]C/C=CCCCC(O)=O
InChi:	InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-/t18-,19-/m1/s1
Definition date:	2016-11-16
Last modified:	2017-10-06
Release date:	2017-10-11
Identifier:	(5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid

GR7

GR7
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate
Formula:	C32 H42 N2 O9 S
SMILES:	c2(cc1COCC=CCCCCN(S(c1cc2)(=O)=O)CC(O)C(NC(OC3COC4OCCC34)=O)Cc5ccccc5)OC
InChi:	InChI=1S/C32H42N2O9S/c1-39-25-12-13-30-24(19-25)21-40-16-9-4-2-3-8-15-34(44(30,37)38)20-28(35)27(18-23-10-6-5-7-11-23)33-32(36)43-29-22-42-31-26(29)14-17-41-31/h4-7,9-13,19,26-29,31,35H,2-3,8,14-18,20-22H2,1H3,(H,33,36)/b9-4+/t26-,27-,28+,29-,31+/m0/s1
Definition date:	2017-07-28
Last modified:	2017-10-06
Release date:	2017-10-11
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate

K35

K35
Name:	~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide
Formula:	C12 H23 N O6
SMILES:	CCCCC(=O)N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C12H23NO6/c1-2-3-4-7(15)13-8-6(5-14)9(16)11(18)12(19)10(8)17/h6,8-12,14,16-19H,2-5H2,1H3,(H,13,15)/t6-,8+,9+,10-,11-,12-/m0/s1
Definition date:	2017-03-07
Last modified:	2017-09-29
Release date:	2017-10-04
Identifier:	~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide

NV4

NV4
Name:	(5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Formula:	C24 H23 N3 O7 S
SMILES:	c25c(C(C1C(COC1=O)C2Sc3ncnn3)c4cc(c(c(c4)OC)OC)OC)cc6c(c5)OCO6
InChi:	InChI=1S/C24H23N3O7S/c1-29-17-4-11(5-18(30-2)21(17)31-3)19-12-6-15-16(34-10-33-15)7-13(12)22(35-24-25-9-26-27-24)14-8-32-23(28)20(14)19/h4-7,9,14,19-20,22H,8,10H2,1-3H3,(H,25,26,27)/t14-,19-,20+,22+/m1/s1
Definition date:	2016-05-06
Last modified:	2017-09-22
Release date:	2017-09-27
Identifier:	(5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

89O

89O
Name:	(5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Formula:	C21 H20 O8
SMILES:	COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](O)c4cc5OCOc5cc24
InChi:	InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1
Definition date:	2017-05-22
Last modified:	2017-09-22
Release date:	2017-09-27
Identifier:	(5~{S},5~{a}~{R},8~{a}~{R},9~{R})-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

9UE

9UE
Name:	Jasplakinolide
Formula:	C36 H45 Br N4 O6
SMILES:	C[CH]1C[CH](C)C=C(C)C[CH](C)C(=O)N[CH](C)C(=O)N(C)[CH](Cc2c(Br)[nH]c3ccccc23)C(=O)N[CH](CC(=O)O1)c4ccc(O)cc4
InChi:	InChI=1S/C36H45BrN4O6/c1-20-15-21(2)17-23(4)47-32(43)19-30(25-11-13-26(42)14-12-25)40-35(45)31(18-28-27-9-7-8-10-29(27)39-33(28)37)41(6)36(46)24(5)38-34(44)22(3)16-20/h7-15,21-24,30-31,39,42H,16-19H2,1-6H3,(H,38,44)(H,40,45)/b20-15+/t21-,22-,23-,24-,30+,31+/m0/s1
Definition date:	2017-07-13
Last modified:	2017-09-22
Release date:	2017-09-27
Identifier:	(4~{R},7~{R},10~{S},13~{S},15~{E},17~{R},19~{S})-7-[(2-bromanyl-1~{H}-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone

9BV

9BV
Name:	tetrazolo[5,1-b]quinazolin-9-ol
Formula:	C8 H5 N5 O
SMILES:	c21nc3nnnn3c(c1cccc2)O
InChi:	InChI=1S/C8H5N5O/c14-7-5-3-1-2-4-6(5)9-8-10-11-12-13(7)8/h1-4,14H
Definition date:	2017-04-17
Last modified:	2017-09-22
Release date:	2017-09-27
Identifier:	tetrazolo[5,1-b]quinazolin-9-ol

9DJ

9DJ
Name:	3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid
Formula:	C24 H25 N3 O2
SMILES:	c1cc(C(O)=O)c(cn1)NCC2CCCc3c2ccc(c3)N(c4ccccc4)C
InChi:	InChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-10-11-21-17(14-20)6-5-7-18(21)15-26-23-16-25-13-12-22(23)24(28)29/h2-4,8-14,16,18,26H,5-7,15H2,1H3,(H,28,29)/t18-/m0/s1
Definition date:	2017-04-20
Last modified:	2017-09-22
Release date:	2017-09-27
Identifier:	3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid

9FJ

9FJ
Name:	3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid
Formula:	C18 H20 N2 O3
SMILES:	O=C(O)c1ccncc1NCC2CCCc3c2ccc(c3)OC
InChi:	InChI=1S/C18H20N2O3/c1-23-14-5-6-15-12(9-14)3-2-4-13(15)10-20-17-11-19-8-7-16(17)18(21)22/h5-9,11,13,20H,2-4,10H2,1H3,(H,21,22)/t13-/m0/s1
Definition date:	2017-05-04
Last modified:	2017-09-22
Release date:	2017-09-27
Identifier:	3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid

8ZM

8ZM
Name:	5-phenyltetrazolo[1,5-a]pyrimidin-7-ol
Formula:	C10 H7 N5 O
SMILES:	c3(c1nc2n(c(c1)O)nnn2)ccccc3
InChi:	InChI=1S/C10H7N5O/c16-9-6-8(7-4-2-1-3-5-7)11-10-12-13-14-15(9)10/h1-6,16H
Definition date:	2017-03-23
Last modified:	2017-09-22
Release date:	2017-09-27
Identifier:	5-phenyltetrazolo[1,5-a]pyrimidin-7-ol

7AO

7AO
Name:	[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-19-[(2~{S},3~{R},4~{S},5~{R})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{N}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate
Formula:	C43 H65 N5 O9
SMILES:	C[CH](CC(C)=C[CH](C)[CH](O)[CH](C)C=C[CH](O)C[CH]1OC(=O)[CH](C)[CH](O)[CH]1C)[CH](O)[CH](C)[CH](OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])[CH](C)C=CC=C
InChi:	InChI=1S/C43H65N5O9/c1-10-11-14-27(4)40(57-43(55)46-20-13-19-45-41(53)33-15-12-16-34(23-33)47-48-44)31(8)38(51)29(6)22-25(2)21-28(5)37(50)26(3)17-18-35(49)24-36-30(7)39(52)32(9)42(54)56-36/h10-12,14-18,21,23,26-32,35-40,49-52H,1,13,19-20,22,24H2,2-9H3,(H,45,53)(H,46,55)/b14-11-,18-17-,25-21-/t26-,27-,28-,29-,30-,31-,32+,35+,36-,37-,38+,39-,40-/m0/s1
Definition date:	2016-09-23
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-19-[(2~{S},3~{R},4~{S},5~{R})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{N}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate

7LP

7LP
Name:	(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide
Formula:	C34 H58 N2 O10
SMILES:	C(CCCCC)CC(=O)NC(COC1OC(C(O)C(O)C1O)CO)C(C(CCCC(=O)NCCCCCCc2ccccc2)O)O
InChi:	InChI=1S/C34H58N2O10/c1-2-3-4-5-12-19-29(40)36-25(23-45-34-33(44)32(43)31(42)27(22-37)46-34)30(41)26(38)18-14-20-28(39)35-21-13-7-6-9-15-24-16-10-8-11-17-24/h8,10-11,16-17,25-27,30-34,37-38,41-44H,2-7,9,12-15,18-23H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,30-,31-,32-,33+,34-/m0/s1
Definition date:	2016-11-14
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)

7LZ

7LZ
Name:	(3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one
Formula:	C32 H52 O6
SMILES:	C[CH]1CC[CH](O)[CH](C)[CH](OC(=O)C=CC=C[CH](C)[CH](O)C[CH](O)C=C[CH](C)[CH](O)[CH](C)C1)[CH](C)C=CC=C
InChi:	InChI=1S/C32H52O6/c1-8-9-12-24(5)32-26(7)28(34)18-15-21(2)19-25(6)31(37)23(4)16-17-27(33)20-29(35)22(3)13-10-11-14-30(36)38-32/h8-14,16-17,21-29,31-35,37H,1,15,18-20H2,2-7H3/b12-9-,13-10+,14-11-,17-16-/t21-,22+,23-,24-,25-,26-,27+,28+,29-,31-,32-/m0/s1
Definition date:	2016-11-18
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	(3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one

TXG

TXG
Name:	(3S,6S,9S,15aR)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2S)-oxiran-2-yl]hexyl}octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone
Formula:	C34 H44 N4 O7
SMILES:	O=C2C(NC(C(NC(=O)C(CCCCCC(O)(O)C1OC1)NC(C3CCCCN23)=O)Cc4ccccc4)=O)Cc5ccccc5
InChi:	InChI=1S/C34H44N4O7/c39-30-25(16-8-3-10-18-34(43,44)29-22-45-29)35-32(41)28-17-9-11-19-38(28)33(42)27(21-24-14-6-2-7-15-24)37-31(40)26(36-30)20-23-12-4-1-5-13-23/h1-2,4-7,12-15,25-29,43-44H,3,8-11,16-22H2,(H,35,41)(H,36,39)(H,37,40)/t25-,26-,27-,28+,29-/m0/s1
Definition date:	2017-04-17
Last modified:	2017-09-01
Release date:	2017-09-06
Identifier:	(3S,6S,9S,15aR)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2S)-oxiran-2-yl]hexyl}octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone

GBF

GBF
Name:	Bacteriochlorophyll g
Formula:	C50 H58 Mg N4 O5
SMILES:	[Mg]321N4C5=C9C8=N1C(=Cc7n2c(C=C6N3=C(C=C4C(=C5CCC(=O)OCC=C(C)CCC=C(/C)CCC=C(/C)C)C)C(=C6CC)C)c(c7CC)C)C(=C8C(=O)C9C(=O)OC)C
InChi:	InChI=1S/C50H59N4O5.Mg/c1-12-34-30(7)37-24-39-32(9)36(20-21-43(55)59-23-22-29(6)19-15-18-28(5)17-14-16-27(3)4)47(53-39)45-46(50(57)58-11)49(56)44-33(10)40(54-48(44)45)26-42-35(13-2)31(8)38(52-42)25-41(34)51-37
Definition date:	2017-08-11
Last modified:	2017-09-01
Release date:	2017-09-06
Identifier:	[methyl 9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium

9S8

9S8
Name:	Non-cubane [4Fe-4S]-cluster
Formula:	Fe4 S4
SMILES:	S1[Fe]S[Fe]S[Fe]S[Fe]1
InChi:	InChI=1S/4Fe.4S
Definition date:	2017-07-06
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	2,4$l^{3},6$l^{3},8-tetrathia-1$l^{4},3$l^{2},5$l^{2},7$l^{2}-tetraferratricyclo[4.2.0.0^{1,4}]octane

725

725
Name:	6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
Formula:	C19 H26 N6 O5
SMILES:	CNc1[nH]c2c(CC[CH]3O[CH](OC)[CH](OC)[CH]3OC)c4N=C(N)NC(=O)c4cc2n1
InChi:	InChI=1S/C19H26N6O5/c1-21-19-22-10-7-9-12(23-18(20)25-16(9)26)8(13(10)24-19)5-6-11-14(27-2)15(28-3)17(29-4)30-11/h7,11,14-15,17H,5-6H2,1-4H3,(H2,21,22,24)(H3,20,23,25,26)/t11-,14-,15-,17-/m1/s1
Definition date:	2016-08-15
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{R},5~{R})-3,4,5-trimethoxyoxolan-2-yl]ethyl]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one

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