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HEV

HEV
Name:	5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX
Formula:	C36 H32 Fe N4 O4
SMILES:	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C=C)c3C=C)C(=C6C=C)C=C)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C36H34N4O4.Fe/c1-7-21-23(9-3)31-17-32-24(10-4)22(8-2)30(40-32)16-28-20(6)26(12-14-36(43)44)34(38-28)18-33-25(11-13-35(41)42)19(5)27(37-33)15-29(21)39-31
Synonyms:	1,3-DEDIMETHYL-1,3-DIVINYL HEME
Definition date:	2000-04-13
Last modified:	2023-09-23

HF3

HF3
Name:	SMALLEST HF-OXO-PHOSPHATE CLUSTER HF3
Formula:	H7 Hf3 O15 P
SMILES:	O[Hf]12(O)O[P]3(=O)O[Hf]4(O)(O)(O1)O[Hf](O)(O)(O)(O3)(O2)O4
InChi:	InChI=1S/3Hf.H3O4P.7H2O.4O/c
Definition date:	2002-11-12
Last modified:	2023-09-23

WCC

WCC
Name:	FE(3)-NI(1)-S(4) CLUSTER
Formula:	Fe3 Ni S4
SMILES:	S1[Fe]S[Fe]1.S2[Fe]S[Ni]2
InChi:	InChI=1S/3Fe.Ni.4S
Synonyms:	C CLUSTER CUBANE
Definition date:	2001-08-22
Last modified:	2023-09-23

ZEM

ZEM
Name:	20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II)
Formula:	C34 H32 N4 O5 Zn
SMILES:	CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N]5C(=CC6=NC(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(C=C)C5=CC1=N2)C
InChi:	InChI=1S/C34H34N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24
Synonyms:	ZN(II)-(20-OXO-PROTOPORPHYRIN IX)
Definition date:	2002-09-18
Last modified:	2023-09-23

XCC

XCC
Name:	FE(4)-NI(1)-S(4) CLUSTER
Formula:	Fe4 Ni S4
SMILES:	[Fe]S[Fe]S[Fe]S[Fe]S[Ni]
InChi:	InChI=1S/4Fe.Ni.4S
Synonyms:	C CLUSTER
Definition date:	2002-12-20
Last modified:	2023-09-23

YBT

YBT
Name:	BIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDROXYMETHYL)METHANE YTTRIUM
Formula:	C8 H19 N O5 Y
SMILES:	[Y].OCCN(CCO)C(CO)(CO)CO
InChi:	InChI=1S/C8H19NO5.Y/c10-3-1-9(2-4-11)8(5-12,6-13)7-14
Definition date:	2002-08-09
Last modified:	2023-09-23

HIF

HIF
Name:	FE(III)-(4-MESOPORPHYRINONE)
Formula:	C34 H36 Fe N4 O5
SMILES:	CCc1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4CCC(O)=O)C)C(=O)[C]6(C)CC)C(=C3C)CCC(O)=O
InChi:	InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-24-18(4)21(9-11-31(39)40)26(35-24)15-27-22(10-12-32(41)42)19(5)25(36-27)14-29-33(43)34(6,8-2)30(38-29)16-28(20)37-23
Synonyms:	FE-MESOPONE
Definition date:	2002-01-22
Last modified:	2023-09-23

XX2

XX2
Name:	1-KETO,2-HYDROXY,4-NITROBENZENE, 1 ELECTRON OXIDIZED
Formula:	C6 H4 N O4
SMILES:	O=[N+]([O-])C1=CC(O)C(=O)C=C1
InChi:	InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,6,9H/t6-/m1/s1
Definition date:	2006-10-05
Last modified:	2023-09-23
Identifier:	(6R)-6-hydroxy-4-nitrocyclohexa-2,4-dien-1-one

HKL

HKL
Name:	Fe(III) pyropheophorbide-a methyl ester
Formula:	C34 H34 Fe N4 O3
SMILES:	CCC1=C(C)C2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C6C(=O)CC(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OC)C
InChi:	InChI=1S/C34H35N4O3.Fe/c1-8-20-16(3)24-13-26-18(5)22(10-11-31(40)41-7)33(37-26)23-12-30(39)32-19(6)27(38-34(23)32)15-29-21(9-2)17(4)25(36-29)14-28(20)35-24
Definition date:	2008-01-14
Last modified:	2023-09-23

HNI

HNI
Name:	PROTOPORPHYRIN IX CONTAINING NI(II)
Formula:	C34 H32 N4 Ni O4
SMILES:	CC1=C(CCC(O)=O)C2=Cc3n4[Ni][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C
InChi:	InChI=1S/C34H34N4O4.Ni/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	1999-07-08
Last modified:	2023-09-23

BAZ

BAZ
Name:	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC
Formula:	C17 H16 N8 Zn
SMILES:	[Zn++].NC(=N)c1ccc2nc(Cc3[nH]c4cc(ccc4n3)C(N)=N)[nH]c2c1
InChi:	InChI=1S/C17H16N8.Zn/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15
Definition date:	1999-07-08
Last modified:	2023-09-23
Identifier:	[5-carbamimidoyl-2-[(6-carbamimidoyl-1H-benzoimidazol-2-yl)methyl]-3H-benzoimidazol-1-yl]zinc

BCB

BCB
Name:	BACTERIOCHLOROPHYLL B
Formula:	C55 H72 Mg N4 O6
SMILES:	COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=[N+]5C(=Cc6n7c(C=C8[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C9=[N+]8[Mg]57[N]3C2=C19)c(C)c6C(C)=O)[CH](C)C4=CC
InChi:	InChI=1S/C55H73N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3
Definition date:	1999-07-08
Last modified:	2023-09-23

BCL

BCL
Name:	BACTERIOCHLOROPHYLL A
Formula:	C55 H74 Mg N4 O6
SMILES:	[Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O
InChi:	InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3
Definition date:	1999-07-08
Last modified:	2023-09-23

C7P

C7P
Name:	cis-diammine(pyridine)chloroplatinum(II)
Formula:	C5 H11 Cl N3 Pt
SMILES:	N.N.Cl[Pt++].c1ccncc1
InChi:	InChI=1S/C5H5N.ClH.2H3N.Pt/c1-2-4-6-5-3-1
Definition date:	2008-04-03
Last modified:	2023-09-23
Identifier:	chloranyl-bis($l^{4}-azanyl)-pyridin-1-yl-platinum(2+)

CBY

CBY
Name:	COB(II)INAMIDE
Formula:	C48 H72 Co N11 O8
SMILES:	[Co++].C[CH](O)CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N-]C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C]2(C)[C](C)(CC(N)=O)[CH]5CCC(N)=O)[C](C)(CC(N)=O)[CH]4CCC(N)=O)C(C)(C)[CH]3CCC(N)=O
InChi:	InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43
Definition date:	2008-03-27
Last modified:	2023-09-23

CCH

CCH
Name:	[7-ETHENYL-12-FORMYL-3,8,13,17-TERTRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2)-N21,N22,N23,N24]IRON
Formula:	C33 H30 Fe N4 O5
SMILES:	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=O)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26
Synonyms:	CLOROCRUORO HEM
Definition date:	1999-07-08
Last modified:	2023-09-23

9TN

9TN
Name:	DEBUTANOYL THAPSIGARGIN
Formula:	C30 H44 O11
SMILES:	CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](O)C[C](C)(OC(C)=O)[CH]12)C
InChi:	InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9+/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1
Definition date:	2011-04-11
Last modified:	2023-09-23
Identifier:	[(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{E})-2-methylbut-2-enoyl]oxy-3,3~{a},4-tris(oxidanyl)-2-oxidanylidene-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

A06

A06
Name:	(3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid
Formula:	C17 H14 Cl2 N2 O2
SMILES:	OC(=O)CC(Cc1[nH]c2ccc(Cl)cc2n1)c3ccc(Cl)cc3
InChi:	InChI=1S/C17H14Cl2N2O2/c18-12-3-1-10(2-4-12)11(8-17(22)23)7-16-20-14-6-5-13(19)9-15(14)21-16/h1-6,9,11H,7-8H2,(H,20,21)(H,22,23)
Definition date:	2011-09-08
Last modified:	2023-09-23
Identifier:	(3~{R})-4-(5-chloranyl-1~{H}-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid

FCI

FCI
Name:	FERRICROCIN-IRON
Formula:	C28 H44 Fe N9 O13
SMILES:	CC(=O)[N]1CCC[CH]2NC(=O)CNC(=O)[CH](CO)NC(=O)CNC(=O)[CH]3CCC[N](O[Fe](O1)O[N](CCC[CH](NC2=O)C(=O)N3)C(=O)C)C(=O)C
InChi:	InChI=1S/C28H44N9O13.Fe/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41
Definition date:	1999-07-08
Last modified:	2023-09-23

FDE

FDE
Name:	FE(III) DEUTEROPORPHYRIN IX
Formula:	C30 H28 Fe N4 O4
SMILES:	CC1=CC2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4cc3C)C(=C6CCC(O)=O)C)C
InChi:	InChI=1S/C30H30N4O4.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20
Definition date:	2005-09-13
Last modified:	2023-09-23

FEM

FEM
Name:	N-(2-FERROCENYLETHYL)MALEIMIDE
Formula:	C16 H17 Fe N O2
SMILES:	O=C1CCC(=O)N1CCC2=C[CH]([Fe]C3C=CC=C3)C=C2
InChi:	InChI=1S/C11H12NO2.C5H5.Fe/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9
Definition date:	2001-07-26
Last modified:	2023-09-23
Identifier:	iron; $l^{1}-carbane; 1-propylpyrrolidine-2,5-dione

FLL

FLL
Name:	OCTAHEDRAL RU-PYRIDOCARBAZOLE
Formula:	C30 H18 Cl F N5 O4 Ru
SMILES:	OC1=CC2=C3C(=C4N(C=C(F)C=C4C5=C3C(=O)NC5=O)[Ru](Cl)N(Cc6ccccn6)c7ccccc7)N=C2C=C1.[C-]#[O+]
InChi:	InChI=1S/C17H8FN3O3.C12H11N2.CO.ClH.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6
Definition date:	2009-01-29
Last modified:	2023-09-23

FNE

FNE
Name:	(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI)
Formula:	C3 Fe Ni O3 S
SMILES:	[Fe]S[Ni].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChi:	InChI=1S/3CO.Fe.Ni.S/c3*1-2
Definition date:	2000-06-21
Last modified:	2023-09-23
Identifier:	3,3,3-tris($l^{3}-oxidanylidynemethyl)-1-thia-2$l^{2}-nickela-3$l^{5}-ferracyclopropane

1ME

1ME
Name:	(2S)-2-AMINO-3-METHYLSULFANYL-BUTANOIC ACID
Formula:	C5 H11 N O2 S
SMILES:	CS[CH](C)[CH](N)C(O)=O
InChi:	InChI=1S/C5H11NO2S/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m0/s1
Definition date:	2011-01-24
Last modified:	2023-09-23
Identifier:	(2~{S})-2-azanyl-3-methylsulfanyl-butanoic acid

A71

A71
Name:	(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEX
Formula:	C6 H25 N5 Pt
SMILES:	N.N.N.[Pt].NCCCCCCN
InChi:	InChI=1S/C6H16N2.3H3N.Pt/c7-5-3-1-2-4-6-8
Definition date:	2006-10-10
Last modified:	2023-09-23
Identifier:	(6-azanylhexyl-$l^{4}-azanyl)-tris($l^{4}-azanyl)platinum

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