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K32
K32
Name:4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE
Formula:C7 H2 Br4 N2 O
SMILES:Brc1c2c(c(Br)c(Br)c1Br)NC(=O)N2
InChi:InChI=1S/C7H2Br4N2O/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)
Definition date:2007-02-21
Last modified:2011-06-04
Identifier:4,5,6,7-tetrabromo-1,3-dihydro-2H-benzimidazol-2-one
208
208
Name:(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID
Formula:C24 H23 Cl N2 O4
SMILES:O=C(O)C(OCC)Cc1cc2c(cc1)n(cc2)Cc3nc(oc3C)c4c(Cl)cccc4
InChi:InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)/t22-/m0/s1
Definition date:2006-05-11
Last modified:2011-06-04
Identifier:(2S)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-indol-5-yl)-2-ethoxypropanoic acid
46C
46C
Name:4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid
Formula:C26 H20 Cl N O4
SMILES:O=C(O)c1ccc(cc1)CN3C(=C(c2c(ccc(Cl)c2)C3=O)c4ccccc4)C(=O)CC
InChi:InChI=1S/C26H20ClNO4/c1-2-22(29)24-23(17-6-4-3-5-7-17)21-14-19(27)12-13-20(21)25(30)28(24)15-16-8-10-18(11-9-16)26(31)32/h3-14H,2,15H2,1H3,(H,31,32)
Definition date:2007-11-28
Last modified:2011-06-04
Identifier:4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid
A5O
A5O
Name:ADENINE ARABINOSE-5'-PHOSPHATE
Formula:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1
Definition date:2009-10-09
Last modified:2011-06-04
Identifier:9-(5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
SHR
SHR
Name:N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID
Formula:C11 H20 N2 O6
SMILES:O=C(O)C(N)CCCCNC(C(=O)O)CCC(=O)O
InChi:InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
Definition date:2000-07-31
Last modified:2011-06-04
Identifier:N-[(5S)-5-amino-5-carboxypentyl]-L-glutamic acid
B13
B13
Name:5-HYDROXYBENZIMIDAZOLYLCOB(III)AMIDE
Formula:C60 H88 Co N13 O15 P
SMILES:C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2N3[CH]1C(=C4[CH](CCC(N)=O)C(C)(C)[CH]5C=C6[CH](CCC(N)=O)[C](C)(CC(N)=O)C7=C(C)[CH]8[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]2(C)N8[Co]3(N45)N67)C)O[P](O)(=O)O[CH]9[CH](O)[CH](O[CH]9CO)n%10cnc%11cc(O)ccc%10%11
InChi:InChI=1S/C60H88N13O15P.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54
Definition date:2006-08-24
Last modified:2011-06-04
HBD
HBD
Name:4-HYDROXYBENZAMIDE
Formula:C7 H7 N O2
SMILES:O=C(c1ccc(O)cc1)N
InChi:InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-hydroxybenzamide
CAA
CAA
Name:ACETOACETYL-COENZYME A
Formula:C25 H40 N7 O18 P3 S
SMILES:O=C(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 3-oxobutanethioate (non-preferred name)
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數據於2024-07-17公開中

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