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GJK
GJK
表記:(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
組成式:C11 H12 O3
SMILES:COc1cc(C=CC(C)=O)ccc1O
InChi:InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
定義日:2018-09-18
最終更新日:2019-09-27
公開日:2019-10-02
識別子（ID）:(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
O37
O37
表記:N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide
組成式:C29 H31 F N4 O2
SMILES:N(C(c1cc(C)ccc1)=O)C2C(=O)N(CC)c4c(C2c3ccc(cc3)F)c(C)nn4C5CC=CCC5
InChi:InChI=1S/C29H31FN4O2/c1-4-33-28-24(19(3)32-34(28)23-11-6-5-7-12-23)25(20-13-15-22(30)16-14-20)26(29(33)36)31-27(35)21-10-8-9-18(2)17-21/h5-6,8-10,13-17,23,25-26H,4,7,11-12H2,1-3H3,(H,31,35)/t23-,25+,26+/m1/s1
定義日:2019-06-05
最終更新日:2019-09-06
公開日:2019-09-11
識別子（ID）:N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide
MWS
MWS
表記:4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one
組成式:C21 H24 O6
SMILES:[C@H](COc2c1c(OC(C=C1)=O)cc3c2cco3)=C(C)CCC(C(C)(C)O)O
InChi:InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8-/t18-/m0/s1
定義日:2019-04-23
最終更新日:2019-09-06
公開日:2019-09-11
識別子（ID）:4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one
C3R
C3R
表記:Carolacton
組成式:C25 H40 O8
SMILES:CO[CH](CC(O)=O)[CH](C)C(=O)[CH](C)C=C(C)[CH]1OC(=O)[CH](O)[CH](O)C=C[CH](C)CCC[CH]1C
InChi:InChI=1S/C25H40O8/c1-14-8-7-9-15(2)24(33-25(31)23(30)19(26)11-10-14)17(4)12-16(3)22(29)18(5)20(32-6)13-21(27)28/h10-12,14-16,18-20,23-24,26,30H,7-9,13H2,1-6H3,(H,27,28)/b11-10+,17-12+/t14-,15+,16-,18-,19-,20-,23-,24+/m1/s1
定義日:2017-05-19
最終更新日:2019-09-04
公開日:2018-02-28
識別子（ID）:(~{E},3~{R},4~{R},6~{R})-8-[(2~{S},3~{S},7~{R},8~{E},10~{R},11~{R})-3,7-dimethyl-10,11-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-8-en-2-yl]-3-methoxy-4,6-dimethyl-5-oxidanylidene-non-7-enoic acid
C7O
C7O
表記:N-[3-[(5R)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
組成式:C21 H23 F2 N5 O4 S2
SMILES:C[C]1(N=C(N)SCC12CC[S](=O)(=O)CC2)c3cc(NC(=O)c4cnc(OCF)cn4)ccc3F
InChi:InChI=1S/C21H23F2N5O4S2/c1-20(21(11-33-19(24)28-20)4-6-34(30,31)7-5-21)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)32-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1
定義日:2019-04-12
最終更新日:2019-08-23
公開日:2019-08-28
識別子（ID）:~{N}-[3-[(5~{R})-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
AUO
AUO
表記:(8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid
組成式:C38 H60 O18
SMILES:OCC1C(O)C(O)C(C(O1)OC2C(C(CO)OC(C2OC3OC(CO)C(C(C3O)O)O)OC76C(=C)/CC5(CCC4C(C(O)=O)(CCCC4(C5CC6)C)C)C7)O)O
InChi:InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
定義日:2018-11-28
最終更新日:2019-07-26
公開日:2019-07-31
識別子（ID）:(8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid
B0O
B0O
表記:(6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one
組成式:C22 H25 N O2
SMILES:C2(=O)C=1C4C(C(C=CC)OC=1C(=CN2)c3ccccc3)CCCC4C
InChi:InChI=1S/C22H25NO2/c1-3-8-18-16-12-7-9-14(2)19(16)20-21(25-18)17(13-23-22(20)24)15-10-5-4-6-11-15/h3-6,8,10-11,13-14,16,18-19H,7,9,12H2,1-2H3,(H,23,24)/b8-3+/t14-,16+,18+,19+/m0/s1
定義日:2018-12-21
最終更新日:2019-07-12
公開日:2019-07-17
識別子（ID）:(6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one
NNM
NNM
表記:(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
組成式:C40 H69 O4 P
SMILES:C(CCCC(=C)/CCCC(=C)CCC/C(CCCC(=C)CCC/C(CCCC(=C)CCCC(=C)C)=C)=C)(CCOP(O)(O)=O)C
InChi:InChI=1S/C40H69O4P/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-44-45(41,42)43/h40H,1,3-8,10-32H2,2,9H3,(H2,41,42,43)/t40-/m1/s1
定義日:2019-05-22
最終更新日:2019-07-05
公開日:2019-07-10
識別子（ID）:(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
KFY
KFY
表記:9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine
組成式:C19 H23 N5 O3
SMILES:c12ncnc(c1nc(n2CC=CC)Cc3cc(OC)c(OC)c(c3)OC)N
InChi:InChI=1S/C19H23N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h5-6,8-9,11H,7,10H2,1-4H3,(H2,20,21,22)/b6-5+
定義日:2018-12-03
最終更新日:2019-06-28
公開日:2019-07-03
識別子（ID）:9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine
N9V
N9V
表記:5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
組成式:C26 H40 N7 O19 P3 S
SMILES:CCC(C(O)=O)C(SCCNC([C@H]=CNC(C(O)C(COP(=O)(O)OP(=O)(O)OCC3C(C(O)C(n2cnc1c(N)ncnc12)O3)OP(O)(=O)O)(C)C)=O)=O)=O
InChi:InChI=1S/C26H40N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h5-6,11-14,17-19,23,35-36H,4,7-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b6-5+/t13-,14+,17+,18+,19-,23+/m0/s1
定義日:2019-05-10
最終更新日:2019-06-21
公開日:2019-06-26
識別子（ID）:5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
HT8
HT8
表記:(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
組成式:C18 H18 N2 O6
SMILES:OC[CH]1O[C]2(N=C(NC2=O)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1
定義日:2018-12-18
最終更新日:2019-06-21
公開日:2019-06-26
識別子（ID）:(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
HTE
HTE
表記:(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
組成式:C14 H16 N2 O6
SMILES:OC[CH]1O[C]2(N=C(NC2=O)c3ccccc3)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C14H16N2O6/c17-6-8-9(18)10(19)11(20)14(22-8)13(21)15-12(16-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,16,21)/t8-,9-,10+,11-,14+/m1/s1
定義日:2018-12-19
最終更新日:2019-06-21
公開日:2019-06-26
識別子（ID）:(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
HTW
HTW
表記:(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
組成式:C18 H18 N2 O6
SMILES:OC[CH]1O[C]2(N=C(NC2=O)c3cccc4ccccc34)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1
定義日:2018-12-19
最終更新日:2019-06-21
公開日:2019-06-26
識別子（ID）:(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
ND1
ND1
表記:(2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
組成式:C30 H29 F4 N5 O2
SMILES:c1cc(cnc1OCCNC[C@H]=[C@H]C(N(C)C)=O)C(=C(/c2ccccc2)CC(F)(F)F)c4cc3c(F)nnc3cc4
InChi:InChI=1S/C30H29F4N5O2/c1-39(2)27(40)9-6-14-35-15-16-41-26-13-11-22(19-36-26)28(21-10-12-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-7-4-3-5-8-20/h3-13,17,19,35H,14-16,18H2,1-2H3,(H,37,38)/b9-6?,28-24-
定義日:2019-05-10
最終更新日:2019-06-14
公開日:2019-06-19
識別子（ID）:(2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
MKM
MKM
表記:3beta-(2-Diethylaminoethoxy)androst-5-en-17-one
組成式:C25 H41 N O2
SMILES:N(CCOC2CCC3(C1CCC4(C(C1CC=C3C2)CCC4=O)C)C)(CC)CC
InChi:InChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
定義日:2019-04-08
最終更新日:2019-06-14
公開日:2019-06-19
識別子（ID）:(3alpha,8alpha,14beta)-3-[2-(diethylamino)ethoxy]androst-5-en-17-one
MIA
MIA
表記:2-METHYLTHIO-N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE
組成式:C16 H24 N5 O7 P S
SMILES:OP(=O)(O)OCC1OC(C(C1O)O)n2cnc3c(NCC=C(C)C)nc(nc23)SC
InChi:InChI=1S/C16H24N5O7PS/c1-8(2)4-5-17-13-10-14(20-16(19-13)30-3)21(7-18-10)15-12(23)11(22)9(28-15)6-27-29(24,25)26/h4,7,9,11-12,15,22-23H,5-6H2,1-3H3,(H,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1
定義日:1999-07-08
最終更新日:2019-06-13
識別子（ID）:N-(3-methylbut-2-en-1-yl)-2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate)
UCZ
UCZ
表記:(1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
組成式:C15 H18 Cl N3 O
SMILES:CC(C)(C)C(C(n1cncn1)=[C@H]c2ccc(cc2)Cl)O
InChi:InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+/t14-/m1/s1
定義日:2018-06-13
最終更新日:2019-06-07
公開日:2019-06-12
識別子（ID）:(1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
A0R
A0R
表記:2',4'-dihydroxy-2-methoxychalcone
組成式:C16 H14 O4
SMILES:COc1ccccc1C=CC(=O)c2ccc(O)cc2O
InChi:InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+
定義日:2018-09-12
最終更新日:2019-06-07
公開日:2019-06-12
識別子（ID）:(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one
68G
68G
表記:13'2-hydroxyl-Chlorophyll a
組成式:C55 H72 Mg N4 O6
SMILES:C(C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)CCC2=C(C)C1=CC9=N8[Mg]56N1C2=C3C(C(=O)OC)(O)C(=O)C4=C(C)C(N5=C34)=Cc7n6c(c(c7CC)C)C=C8C(=C9C)CC
InChi:InChI=1S/C55H73N4O6.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42
定義日:2016-02-17
最終更新日:2019-05-22
公開日:2016-05-04
識別子（ID）:[methyl 9,14-diethyl-21-hydroxy-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-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
K8P
K8P
表記:[(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate
組成式:C8 H16 N O7 P
SMILES:C[CH](N[CH](O)[CH](O)CO[P](O)(O)=O)C(=O)C=C
InChi:InChI=1S/C8H16NO7P/c1-3-6(10)5(2)9-8(12)7(11)4-16-17(13,14)15/h3,5,7-9,11-12H,1,4H2,2H3,(H2,13,14,15)/t5-,7+,8+/m0/s1
定義日:2016-08-11
最終更新日:2019-05-11
公開日:2017-01-18
識別子（ID）:[(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate
BC0
BC0
表記:2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
組成式:C20 H19 Cl N4 S2
SMILES:N4(C=Cc3c1c(nc(nc1NCC=C)SCc2ccc(cc2)Cl)sc3C4)C
InChi:InChI=1S/C20H19ClN4S2/c1-3-9-22-18-17-15-8-10-25(2)11-16(15)27-19(17)24-20(23-18)26-12-13-4-6-14(21)7-5-13/h3-8,10H,1,9,11-12H2,2H3,(H,22,23,24)
定義日:2019-01-31
最終更新日:2019-05-10
公開日:2019-05-15
識別子（ID）:2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
47C
47C
表記:2'-DEOXY-N-(PROP-2-EN-1-YLOXY)CYTIDINE 5'-(DIHYDROGEN PHOSPHATE)
組成式:C12 H18 N3 O8 P
SMILES:O=C1N=C(NOC/C=C)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C12H18N3O8P/c1-2-5-21-14-10-3-4-15(12(17)13-10)11-6-8(16)9(23-11)7-22-24(18,19)20/h2-4,8-9,11,16H,1,5-7H2,(H,13,14,17)(H2,18,19,20)/t8-,9+,11+/m0/s1
定義日:2010-08-10
最終更新日:2019-04-29
識別子（ID）:2'-deoxy-N-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate)
9U0
9U0
表記:N6-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine
組成式:C15 H26 N2 O4
SMILES:C=1C(CCCCCC=1)OC(NCCCCC(C(O)=O)N)=O
InChi:InChI=1S/C15H26N2O4/c16-13(14(18)19)10-6-7-11-17-15(20)21-12-8-4-2-1-3-5-9-12/h4,8,12-13H,1-3,5-7,9-11,16H2,(H,17,20)(H,18,19)/t12-,13+/m1/s1
定義日:2018-07-31
最終更新日:2019-04-12
公開日:2019-04-17
識別子（ID）:N~6~-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine
D29
D29
表記:(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol
組成式:C13 H11 F6 N O S2
SMILES:FC(F)(F)c1cc(S(=O)[C@H]=[C@H]CCN=C/S)cc(c1)C(F)(F)F
InChi:InChI=1S/C13H11F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-8H,1,3H2,(H,20,22)/b4-2+/t23-/m1/s1
定義日:2018-04-25
最終更新日:2019-04-12
公開日:2019-04-17
識別子（ID）:(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol
99C
99C
表記:(2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate
組成式:C12 H18 O8 P2
SMILES:OC/C(Cc1ccc(C)cc1)=C/COP(OP(O)(O)=O)(O)=O
InChi:InChI=1S/C12H18O8P2/c1-10-2-4-11(5-3-10)8-12(9-13)6-7-19-22(17,18)20-21(14,15)16/h2-6,13H,7-9H2,1H3,(H,17,18)(H2,14,15,16)/b12-6+
定義日:2018-02-06
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:(2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate

223532

件を2024-08-07に公開中

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