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RDO
RDO
表記:ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
組成式:C15 H16 F3 N O3
SMILES:CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F
InChi:InChI=1S/C15H16F3NO3/c1-2-22-14(21)7-6-13(20)19-9-8-10-11(15(16,17)18)4-3-5-12(10)19/h3-5H,2,6-9H2,1H3
別名:(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA N-3,4-DIOL
定義日:2022-11-29
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
REH
REH
表記:1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone
組成式:C13 H14 F N O
SMILES:CC(=O)N1CC2(CCC2)c3c(F)cccc13
InChi:InChI=1S/C13H14FNO/c1-9(16)15-8-13(6-3-7-13)12-10(14)4-2-5-11(12)15/h2,4-5H,3,6-8H2,1H3
定義日:2022-11-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone
RFO
RFO
表記:1-(4-chloranylindol-1-yl)-2-methoxy-ethanone
組成式:C11 H10 Cl N O2
SMILES:COCC(=O)n1ccc2c(Cl)cccc12
InChi:InChI=1S/C11H10ClNO2/c1-15-7-11(14)13-6-5-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3
定義日:2022-11-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:1-(4-chloranylindol-1-yl)-2-methoxy-ethanone
KYF
KYF
表記:(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate
組成式:C20 H24 F N3 O2 S
SMILES:O=C(OC1CN2CCC1CC2)NC(C)(C)c1csc(n1)c1ccc(F)cc1
InChi:InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1
定義日:2022-02-22
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate
RG0
RG0
表記:1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
組成式:C11 H9 Cl F3 N O
SMILES:CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F
InChi:InChI=1S/C11H9ClF3NO/c1-6(17)16-5-4-7-9(16)3-2-8(12)10(7)11(13,14)15/h2-3H,4-5H2,1H3
定義日:2022-11-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
RGO
RGO
表記:(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one
組成式:C11 H9 F2 N O
SMILES:FC1(F)C[CH]2Cc3ccccc3N2C1=O
InChi:InChI=1S/C11H9F2NO/c12-11(13)6-8-5-7-3-1-2-4-9(7)14(8)10(11)15/h1-4,8H,5-6H2/t8-/m0/s1
定義日:2022-11-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one
RGU
RGU
表記:(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one
組成式:C11 H11 N O
SMILES:O=C1CC[CH]2Cc3ccccc3N12
InChi:InChI=1S/C11H11NO/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9)11/h1-4,9H,5-7H2/t9-/m1/s1
定義日:2022-11-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one
RHF
RHF
表記:RHODIUM(II) ION
組成式:Rh
SMILES:[Rh+2]
InChi:InChI=1S/Rh/q+2
定義日:2022-07-12
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:rhodium(2+)
KLC
KLC
表記:(3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one
組成式:C24 H44 O8
SMILES:CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)[CH](O)CCC[CH](OC)[CH](O)C(=O)O1)OC
InChi:InChI=1S/C24H44O8/c1-7-16(14-25)11-15(2)19-12-17(30-5)13-21(27)24(3,4)20(26)10-8-9-18(31-6)22(28)23(29)32-19/h11,16-22,25-28H,7-10,12-14H2,1-6H3/b15-11-/t16-,17-,18-,19+,20+,21+,22+/m1/s1
定義日:2022-05-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:(3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one
RIQ
RIQ
表記:1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone
組成式:C10 H9 Cl2 N O
SMILES:CC(=O)N1CCc2c(Cl)c(Cl)ccc12
InChi:InChI=1S/C10H9Cl2NO/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12/h2-3H,4-5H2,1H3
定義日:2022-11-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone
RIX
RIX
表記:methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate
組成式:C11 H8 Cl N O3
SMILES:COC(=O)C(=O)n1ccc2c(Cl)cccc12
InChi:InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)13-6-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3
定義日:2022-11-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate
RJ0
RJ0
表記:1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
組成式:C11 H11 N O
SMILES:C=CC(=O)N1CCc2ccccc12
InChi:InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
定義日:2022-11-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
NUC
NUC
表記:(2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
組成式:C23 H24 N4 O3
SMILES:NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C
InChi:InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m0/s1
定義日:2022-04-08
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:(2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
DO0
DO0
表記:4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
組成式:C14 H12 N2 O5
SMILES:O=C1NC(=O)CCC1(C)N1C(=O)c2cccc(O)c2C1=O
InChi:InChI=1S/C14H12N2O5/c1-14(6-5-9(18)15-13(14)21)16-11(19)7-3-2-4-8(17)10(7)12(16)20/h2-4,17H,5-6H2,1H3,(H,15,18,21)/t14-/m1/s1
定義日:2021-11-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
DVO
DVO
表記:2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
組成式:C15 H12 N2 O6
SMILES:O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C1(C)CCC(=O)NC1=O
InChi:InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)/t15-/m1/s1
定義日:2021-11-30
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
E1I
E1I
表記:N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
組成式:C30 H28 Cl N9 O4
SMILES:N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=C(c3cn(C)nc3)N(C)C(=O)c12
InChi:InChI=1S/C30H28ClN9O4/c1-17-8-18(9-19(11-32)27(17)42)21-15-40(29-26(21)30(43)38(3)28(36-29)20-12-34-37(2)14-20)16-25(41)35-23-10-24(33-13-22(23)31)39-4-6-44-7-5-39/h8-10,12-15,42H,4-7,16H2,1-3H3,(H,33,35,41)
定義日:2021-12-01
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
E2E
E2E
表記:3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide
組成式:C26 H23 Cl2 F N6 O4
SMILES:NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2nccc(F)c21
InChi:InChI=1S/C26H23Cl2FN6O4/c1-13-12-39-5-4-35(13)21-8-20(18(28)9-32-21)33-22(36)11-34-10-16(23-19(29)2-3-31-26(23)34)14-6-15(25(30)38)24(37)17(27)7-14/h2-3,6-10,13,37H,4-5,11-12H2,1H3,(H2,30,38)(H,32,33,36)/t13-/m0/s1
定義日:2021-12-01
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide
ECK
ECK
表記:(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol
組成式:C32 H56 O2
SMILES:CC(C)CCC[CH](CCCC(C)(C)O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:InChI=1S/C32H56O2/c1-22(2)9-7-10-23(11-8-18-30(3,4)34)27-14-15-28-26-13-12-24-21-25(33)16-19-31(24,5)29(26)17-20-32(27,28)6/h12,22-23,25-29,33-34H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
定義日:2022-01-05
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol
I7Y
I7Y
表記:(2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
組成式:C45 H74 O15
SMILES:OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1
InChi:InChI=1S/C45H74O15/c1-23-8-14-45(56-20-23)24(2)34-31(60-45)17-30-28-7-6-26-16-27(9-12-43(26,3)29(28)10-13-44(30,34)4)54-15-11-25(21-53-5)22-55-41-39(52)37(50)40(33(19-47)58-41)59-42-38(51)36(49)35(48)32(18-46)57-42/h6,23-25,27-42,46-52H,7-22H2,1-5H3/t23-,24+,25-,27+,28-,29+,30+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42-,43+,44+,45-/m1/s1
定義日:2022-01-21
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:(2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
8PD
8PD
表記:(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid
組成式:C20 H39 N O4
SMILES:CCCCCCCCCCCCCCCC(=O)N[CH](CCO)C(O)=O
InChi:InChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(16-17-22)20(24)25/h18,22H,2-17H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1
定義日:2021-12-23
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid
90Q
90Q
表記:(2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
組成式:C15 H11 Cl O5
SMILES:Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)c(Cl)c3
InChi:InChI=1S/C15H11ClO5/c16-9-3-7(1-2-10(9)18)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,17-19H,6H2/t13-/m1/s1
定義日:2021-12-31
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:(2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
91C
91C
表記:(2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
組成式:C15 H10 Cl2 O5
SMILES:Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3cc(Cl)c(O)c(Cl)c3
InChi:InChI=1S/C15H10Cl2O5/c16-8-1-6(2-9(17)15(8)21)12-5-11(20)14-10(19)3-7(18)4-13(14)22-12/h1-4,12,18-19,21H,5H2/t12-/m1/s1
定義日:2021-12-31
最終更新日:2022-12-09
公開日:2022-12-14
識別子（ID）:(2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
7N6
7N6
表記:(2R)-2-hydroxyhexanoic acid
組成式:C6 H12 O3
SMILES:CCCC[CH](O)C(O)=O
InChi:InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
定義日:2016-11-23
最終更新日:2022-12-06
公開日:2018-05-09
識別子（ID）:(2~{R})-2-oxidanylhexanoic acid
PKN
PKN
表記:1H-pyrrole-3-carboxylic acid
組成式:C5 H5 N O2
SMILES:O=C(O)c1cc[NH]c1
InChi:InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
定義日:2022-05-26
最終更新日:2022-12-02
公開日:2022-12-07
識別子（ID）:1H-pyrrole-3-carboxylic acid
XG8
XG8
表記:N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide
組成式:C13 H14 N2 O3 S3
SMILES:SCC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cccs1
InChi:InChI=1S/C13H14N2O3S3/c14-11(8-19)13(16)15-21(17,18)10-4-1-3-9(7-10)12-5-2-6-20-12/h1-7,11,19H,8,14H2,(H,15,16)/t11-/m0/s1
定義日:2022-11-15
最終更新日:2022-12-02
公開日:2022-12-07
識別子（ID）:N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide

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