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DEB
DEB
表記:6-DEOXYERYTHRONOLIDE B
組成式:C21 H38 O6
SMILES:O=C1OC(C(C(O)C(C(=O)C(CC(C)C(O)C(C)C(O)C1C)C)C)C)CC
InChi:InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
DEH
DEH
表記:2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium
組成式:C19 H18 N O4
SMILES:Oc4cc3c2cc1ccc(OC)c(O)c1c[n+]2CCc3cc4OC
InChi:InChI=1S/C19H17NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,7-10,21H,5-6H2,1-2H3/p+1
定義日:2009-04-09
最終更新日:2011-06-04
識別子（ID）:2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium
DJR
DJR
表記:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE
組成式:C28 H38 N2 O8 S
SMILES:O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4
InChi:InChI=1S/C28H38N2O8S/c1-19(2)16-30(39(33,34)22-11-9-21(35-3)10-12-22)17-25(31)24(15-20-7-5-4-6-8-20)29-28(32)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,31H,13-18H2,1-3H3,(H,29,32)/t23-,24-,25+,26-,27+/m0/s1
定義日:2006-08-24
最終更新日:2011-06-04
識別子（ID）:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
DSV
DSV
表記:N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine
組成式:C17 H17 N O4 S2
SMILES:O=C(O)C(NS(=O)(=O)c2ccc1c3ccccc3sc1c2)C(C)C
InChi:InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-13-12-5-3-4-6-14(12)23-15(13)9-11/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1
定義日:2008-04-08
最終更新日:2011-06-04
識別子（ID）:N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine
DT1
DT1
表記:4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
組成式:C18 H22 N6 O3 S
SMILES:O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)OCC4CCCCC4
InChi:InChI=1S/C18H22N6O3S/c19-28(25,26)15-8-6-14(7-9-15)22-16-10-17(23-18-20-12-21-24(16)18)27-11-13-4-2-1-3-5-13/h6-10,12-13,22H,1-5,11H2,(H2,19,25,26)
定義日:2005-11-10
最終更新日:2011-06-04
識別子（ID）:4-{[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
DT2
DT2
表記:4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
組成式:C17 H21 N7 O2 S
SMILES:O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)NC4CCCCC4
InChi:InChI=1S/C17H21N7O2S/c18-27(25,26)14-8-6-13(7-9-14)22-16-10-15(21-12-4-2-1-3-5-12)23-17-19-11-20-24(16)17/h6-12,22H,1-5H2,(H2,18,25,26)(H,19,20,21,23)
定義日:2005-11-10
最終更新日:2011-06-04
識別子（ID）:4-{[5-(cyclohexylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
DT4
DT4
表記:4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE
組成式:C17 H22 N8 O2 S
SMILES:O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)NC4CCC(N)CC4
InChi:InChI=1S/C17H22N8O2S/c18-11-1-3-12(4-2-11)22-15-9-16(25-17(24-15)20-10-21-25)23-13-5-7-14(8-6-13)28(19,26)27/h5-12,23H,1-4,18H2,(H2,19,26,27)(H,20,21,22,24)/t11-,12-
定義日:2005-11-10
最終更新日:2011-06-04
識別子（ID）:4-({5-[(trans-4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide
DT5
DT5
表記:4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE
組成式:C17 H20 N6 O3 S
SMILES:O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)OC4CCCCC4
InChi:InChI=1S/C17H20N6O3S/c18-27(24,25)14-8-6-12(7-9-14)21-15-10-16(22-17-19-11-20-23(15)17)26-13-4-2-1-3-5-13/h6-11,13,21H,1-5H2,(H2,18,24,25)
定義日:2005-11-10
最終更新日:2011-06-04
識別子（ID）:4-{[5-(cyclohexyloxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
DYH
DYH
表記:(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid
組成式:C12 H20 N2 O7
SMILES:O=C(O)C(N)CC2(OC1C(OCC(O)C1NC)C2)C(=O)O
InChi:InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
定義日:2008-05-08
最終更新日:2011-06-04
識別子（ID）:(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)
DZ9
DZ9
表記:3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
組成式:C18 H12 F N3 O S2
SMILES:Fc1cccc(c1)NC(=O)c3sc2nc(ccc2c3N)c4sccc4
InChi:InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
定義日:2009-05-12
最終更新日:2011-06-04
識別子（ID）:3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
ECT
ECT
表記:ECTEINASCIDIN 743
組成式:C39 H43 N3 O11 S
SMILES:O=C(Oc1c9c(c2OCOc2c1C)C8N5C(O)C4N(C)C(c3c(cc(c(OC)c3O)C)C4)C5C9SCC7(c6cc(OC)c(O)cc6CCN7)C(=O)OC8)C
InChi:InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1
定義日:2000-05-12
最終更新日:2011-06-04
識別子（ID）:(6R,6aR,7R,13S,14S,16R,20R)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-3',4',6,7,12,13,14,16-octahydro-2'H,6aH-spiro[7,13-epimino-6,16-(epithiopropanooxymethano)[1,3]dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'-isoquinolin]-5-yl acetate
EDE
EDE
表記:EDEINE B
組成式:C34 H59 N11 O10
SMILES:O=C(NCCCNCCCCC(=[N@H])N)CNC(=O)CC(O)C(N)CCCC(C(=O)O)NC(=O)C(NC(=O)C(O)CNC(=O)CC(N)c1ccc(O)cc1)CN
InChi:InChI=1S/C34H59N11O10/c35-17-25(45-33(53)27(48)18-42-29(49)15-23(37)20-8-10-21(46)11-9-20)32(52)44-24(34(54)55)6-3-5-22(36)26(47)16-30(50)43-19-31(51)41-14-4-13-40-12-2-1-7-28(38)39/h8-11,22-27,40,46-48H,1-7,12-19,35-37H2,(H3,38,39)(H,41,51)(H,42,49)(H,43,50)(H,44,52)(H,45,53)(H,54,55)/t22-,23-,24+,25-,26+,27-/m0/s1
定義日:2001-04-03
最終更新日:2011-06-04
識別子（ID）:(2R,6S,7R)-6-amino-2-({3-amino-N-[(2S)-3-{[(3S)-3-amino-3-(4-hydroxyphenyl)propanoyl]amino}-2-hydroxypropanoyl]-L-alanyl}amino)-9-({2-[(3-{[(5E)-5-amino-5-iminopentyl]amino}propyl)amino]-2-oxoethyl}amino)-7-hydroxy-9-oxononanoic acid
EL
EL
表記:ELLIPTICINE
組成式:C17 H15 N2
SMILES:c1cccc4c1c2c(c(c3c(c2C)c[nH+]cc3)C)n4
InChi:InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
EMH
EMH
表記:9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
組成式:C30 H34 N4 O2
SMILES:N#Cc1cc2c(cc1)c4c(n2)C(c3cc(c(cc3C4=O)CC)N6CCC(N5CCOCC5)CC6)(C)C
InChi:InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
定義日:2010-10-26
最終更新日:2011-06-04
識別子（ID）:9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
ESG
ESG
表記:L-gamma-glutamyl-S-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine
組成式:C16 H24 N4 O8 S
SMILES:CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O
InChi:InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1
定義日:2010-01-18
最終更新日:2011-06-04
識別子（ID）:2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
ESI
ESI
表記:4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE
組成式:C9 H8 I N2 S
SMILES:Ic1cccc2sc(cc12)C(=[NH2+])N
InChi:InChI=1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)/p+1
定義日:2000-01-14
最終更新日:2011-06-04
識別子（ID）:amino(4-iodo-1-benzothiophen-2-yl)methaniminium
ESP
ESP
表記:THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE
組成式:C8 H8 N3 S
SMILES:n1cccc2c1sc(c2)C(=[NH2+])N
InChi:InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
定義日:2000-01-14
最終更新日:2011-06-04
識別子（ID）:amino(thieno[2,3-b]pyridin-2-yl)methaniminium
ESX
ESX
表記:BENZO[B]THIOPHENE-2-CARBOXAMIDINE
組成式:C9 H9 N2 S
SMILES:s2c1ccccc1cc2C(=[NH2+])N
InChi:InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1
定義日:2000-01-14
最終更新日:2011-06-04
識別子（ID）:amino(1-benzothiophen-2-yl)methaniminium
FMB
FMB
表記:FORMYCIN B
組成式:C10 H12 N4 O5
SMILES:O=C1NC=Nc2c1nnc2C3OC(CO)C(O)C3O
InChi:InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1S)-1,4-anhydro-1-(7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol
FMI
FMI
表記:FE-(4-MESOPORPHYRINONE)-R-ISOMER
組成式:C34 H36 Fe N4 O5
SMILES:O=C(O)CCC=1C2=Cc4c(c(c3C=C8[N+]6=C(C=C7[N+]5=C(C=C(C=1C)N2[Fe]56n34)C(=C7C)CC)C(=O)C8(C)CC)C)CCC(=O)O
InChi:InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)24-14-29-33(43)34(6,8-2)30(38-29)16-25-19(5)22(10-12-32(41)42)28(37-25)15-27-21(9-11-31(39)40)18(4)23(36-27)13-26(20)35-24
定義日:2004-02-18
最終更新日:2011-06-04
識別子（ID）:{3,3'-[(7R)-7,13-diethyl-3,7,12,17-tetramethyl-8-oxo-7,8-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron(2+)
113
113
表記:7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID
組成式:C15 H14 O8
SMILES:O=C(O)c2c1C(=O)C3=C(Oc1cc(O)c2O)CC(OC3OC)C
InChi:InChI=1S/C15H14O8/c1-5-3-7-10(15(21-2)22-5)13(18)9-8(23-7)4-6(16)12(17)11(9)14(19)20/h4-5,15-17H,3H2,1-2H3,(H,19,20)/t5-,15+/m0/s1
定義日:2000-12-07
最終更新日:2011-06-04
識別子（ID）:(1R,3S)-7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid
FRX
FRX
表記:(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
組成式:C20 H19 Cl N4 O4 S
SMILES:Clc2sc1nc(cc1c2)C(=O)NC4C(=O)N(c3ccccc3C4)CC(=O)NCCO
InChi:InChI=1S/C20H19ClN4O4S/c21-16-9-12-8-13(24-19(12)30-16)18(28)23-14-7-11-3-1-2-4-15(11)25(20(14)29)10-17(27)22-5-6-26/h1-4,8-9,14,24,26H,5-7,10H2,(H,22,27)(H,23,28)/t14-/m0/s1
定義日:2006-11-02
最終更新日:2011-06-04
識別子（ID）:2-chloro-N-[(3S)-1-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
FRY
FRY
表記:(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
組成式:C18 H15 Cl N4 O3 S
SMILES:ClC2SC1=NC(=CC1=C2)C(=O)NC4C(=O)N(c3ccccc3C4)CC(=O)N
InChi:InChI=1S/C18H15ClN4O3S/c19-14-7-10-6-11(22-17(10)27-14)16(25)21-12-5-9-3-1-2-4-13(9)23(18(12)26)8-15(20)24/h1-4,6-7,12,14H,5,8H2,(H2,20,24)(H,21,25)/t12-,14+/m0/s1
定義日:2006-11-01
最終更新日:2011-06-04
識別子（ID）:(2S)-N-[(3S)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-2-chloro-2H-thieno[2,3-b]pyrrole-5-carboxamide
14I
14I
表記:naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid
組成式:C16 H8 O6
SMILES:O=C(O)c4oc1c(c3c(cc1)ccc2oc(cc23)C(=O)O)c4
InChi:InChI=1S/C16H8O6/c17-15(18)12-5-8-10(21-12)3-1-7-2-4-11-9(14(7)8)6-13(22-11)16(19)20/h1-6H,(H,17,18)(H,19,20)
定義日:2010-03-26
最終更新日:2011-06-04
識別子（ID）:naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid
18E
18E
表記:7-chloro-10-methyl-11H-benzo[g]pyrido[4,3-b]indol-3-ol
組成式:C16 H11 Cl N2 O
SMILES:Clc4ncc(c3c4c2c(c1ccc(O)cc1cc2)n3)C
InChi:InChI=1S/C16H11ClN2O/c1-8-7-18-16(17)13-12-4-2-9-6-10(20)3-5-11(9)15(12)19-14(8)13/h2-7,19-20H,1H3
定義日:2010-09-21
最終更新日:2011-06-04
識別子（ID）:7-chloro-10-methyl-11H-benzo[g]pyrido[4,3-b]indol-3-ol

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件を2024-10-16に公開中

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