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GFU
GFU
表記:4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
組成式:C20 H24 O6
SMILES:COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(OC)c3)ccc1O
InChi:InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1
別名:(+)-Lariciresinol
定義日:2020-08-27
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-[[(3~{R},4~{R},5~{S})-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
QRE
QRE
表記:2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid
組成式:C27 H26 N2 O7 S
SMILES:OC(=O)CCCCCNC(=S)Nc1ccc([CH]2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O
InChi:InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37)
定義日:2020-07-29
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid
QRH
QRH
表記:(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide
組成式:C36 H38 N O3 P
SMILES:O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)C=CC=Cc4ccc5OCOc5c4
InChi:InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+
定義日:2020-07-29
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide
Q5Q
Q5Q
表記:3,6-dibromo-1-(hydroxymethyl)carbazole
組成式:C13 H9 Br2 N O
SMILES:Cc1ccc2[nH]c3c(O)cc(Br)c(Br)c3c2c1
InChi:InChI=1S/C13H9Br2NO/c1-6-2-3-9-7(4-6)11-12(15)8(14)5-10(17)13(11)16-9/h2-5,16-17H,1H3
別名:3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol
定義日:2020-05-18
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol
QBZ
QBZ
表記:(2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid
組成式:C10 H13 N4 O6 S
SMILES:C[C](Cn1ccnn1)([CH](N=CCC(O)=O)C(O)=O)[S-](=O)=O
InChi:InChI=1S/C10H13N4O6S/c1-10(21(19)20,6-14-5-4-12-13-14)8(9(17)18)11-3-2-7(15)16/h3-5,8H,2,6H2,1H3,(H,15,16)(H,17,18)/q-1/b11-3+/t8-,10-/m0/s1
別名:Tazobactam imine intermediate
定義日:2020-06-04
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:(2~{S},3~{S})-3-methyl-2-[(~{E})-(3-oxidanyl-3-oxidanylidene-propylidene)amino]-3-sulfinato-4-(1,2,3-triazol-1-yl)butanoic acid
TWQ
TWQ
表記:3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde
組成式:C13 H16 N2 O4
SMILES:CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O
InChi:InChI=1S/C13H16N2O4/c1-19-11-3-2-6-14(8-11)13-7-10(9-16)4-5-12(13)15(17)18/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1
定義日:2021-01-14
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde
TZH
TZH
表記:(5-methyl-2-nitro-phenyl) cyclobutanecarboxylate
組成式:C12 H14 N O4
SMILES:Cc1ccc(c(OC(=O)C2CCC2)c1)[N+](O)=O
InChi:InChI=1S/C12H14NO4/c1-8-5-6-10(13(15)16)11(7-8)17-12(14)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,16)/q+1
定義日:2021-01-14
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:(2-cyclobutylcarbonyloxy-4-methyl-phenyl)-oxidanyl-oxidanylidene-azanium
TZW
TZW
表記:4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde
組成式:C12 H14 N2 O4
SMILES:OC1CCN(CC1)c2cc(C=O)ccc2[N](=O)=O
InChi:InChI=1S/C12H14N2O4/c15-8-9-1-2-11(14(17)18)12(7-9)13-5-3-10(16)4-6-13/h1-2,7-8,10,16H,3-6H2
定義日:2021-01-15
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde
U1B
U1B
表記:4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde
組成式:C12 H14 N2 O4
SMILES:O[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O
InChi:InChI=1S/C12H14N2O4/c15-8-9-3-4-11(14(17)18)12(6-9)13-5-1-2-10(16)7-13/h3-4,6,8,10,16H,1-2,5,7H2/t10-/m0/s1
別名:4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde
定義日:2021-01-17
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde
8Y9
8Y9
表記:[(2~{R},3~{S},5~{R})-5-[(5~{S})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy l dihydrogen phosphate
組成式:C9 H16 N5 O8 P
SMILES:NC(=N)N[CH]1N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
InChi:InChI=1S/C9H16N5O8P/c10-8(11)12-6-7(16)13-9(17)14(6)5-1-3(15)4(22-5)2-21-23(18,19)20/h3-6,15H,1-2H2,(H4,10,11,12)(H,13,16,17)(H2,18,19,20)/t3-,4+,5+,6-/m0/s1
別名:(S)-Gh
定義日:2017-11-07
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:[(2~{R},3~{S},5~{R})-5-[(5~{S})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
TG8
TG8
表記:[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
組成式:C18 H22 N6 O11 P2
SMILES:CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34
InChi:InChI=1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
定義日:2020-12-22
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
TGB
TGB
表記:[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
組成式:C18 H23 N6 O13 P3 S
SMILES:CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)n3cnc4c(N)ncnc34
InChi:InChI=1S/C18H23N6O13P3S/c1-20-10-5-3-2-4-9(10)18(26)35-14-11(6-33-38(27,28)36-39(29,30)37-40(31,32)41)34-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,27,28)(H,29,30)(H2,19,21,22)(H2,31,32,41)/t11-,13-,14-,17-/m1/s1
定義日:2020-12-22
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
TK2
TK2
表記:2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
組成式:C30 H30 N4 O
SMILES:Cc1c(COc2ccc3nc(CN)c(NCCc4ccccc4)n3c2)cccc1c5ccccc5
InChi:InChI=1S/C30H30N4O/c1-22-25(13-8-14-27(22)24-11-6-3-7-12-24)21-35-26-15-16-29-33-28(19-31)30(34(29)20-26)32-18-17-23-9-4-2-5-10-23/h2-16,20,32H,17-19,21,31H2,1H3
定義日:2020-12-23
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
06M
06M
表記:6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
組成式:C26 H25 N7 O2 S
SMILES:CS(=N)(=O)C1(CC1)c1cc(nc(n1)c1ccnc2[NH]ccc21)C1=CN(CCC=C)C(=O)c2[NH]ccc12
InChi:InChI=1S/C26H25N7O2S/c1-3-4-13-33-15-19(16-5-10-28-22(16)25(33)34)20-14-21(26(8-9-26)36(2,27)35)32-24(31-20)18-7-12-30-23-17(18)6-11-29-23/h3,5-7,10-12,14-15,27-28H,1,4,8-9,13H2,2H3,(H,29,30)/t36-/m1/s1
定義日:2021-06-03
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
UGE
UGE
表記:4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
組成式:C16 H15 N O3 S
SMILES:O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23
InChi:InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2
定義日:2021-02-16
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
UGN
UGN
表記:1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
組成式:C15 H24 N2 O2 S
SMILES:CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2
InChi:InChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
定義日:2021-02-17
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
UHQ
UHQ
表記:4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
組成式:C14 H20 N2 O3 S
SMILES:CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3
定義日:2021-02-23
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
UHT
UHT
表記:~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide
組成式:C14 H19 N O3 S
SMILES:CN(C1CCCCC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C14H19NO3S/c1-15(13-5-3-2-4-6-13)19(17,18)14-9-7-12(11-16)8-10-14/h7-11,13H,2-6H2,1H3
定義日:2021-02-23
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide
UHW
UHW
表記:4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
組成式:C12 H16 N2 O3 S
SMILES:CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C12H16N2O3S/c1-13-6-8-14(9-7-13)18(16,17)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3
定義日:2021-02-23
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
UON
UON
表記:4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
組成式:C15 H11 Cl N2 O2
SMILES:COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3
InChi:InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3
定義日:2021-03-03
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
UOT
UOT
表記:4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
組成式:C15 H11 Cl N2 O2
SMILES:COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1
InChi:InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3
定義日:2021-03-03
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
UST
UST
表記:4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
組成式:C15 H13 N O3 S
SMILES:O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23
InChi:InChI=1S/C15H13NO3S/c17-11-12-5-7-14(8-6-12)20(18,19)16-10-9-13-3-1-2-4-15(13)16/h1-8,11H,9-10H2
定義日:2021-03-15
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
USW
USW
表記:4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
組成式:C15 H12 Cl N O4 S
SMILES:Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C15H12ClNO4S/c16-12-3-6-14-15(9-12)21-8-7-17(14)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2
定義日:2021-03-15
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
UT8
UT8
表記:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
組成式:C16 H15 N O5 S
SMILES:COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3
定義日:2021-03-17
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
UVB
UVB
表記:4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde
組成式:C12 H15 N O4 S
SMILES:O[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C12H15NO4S/c14-9-10-3-5-12(6-4-10)18(16,17)13-7-1-2-11(15)8-13/h3-6,9,11,15H,1-2,7-8H2/t11-/m0/s1
定義日:2021-03-23
最終更新日:2021-06-04
公開日:2021-06-09
識別子（ID）:4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde

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