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ID1
ID1
Name: Imipenem
Formula:C12 H19 N3 O4 S
SMILES:C[CH](O)[CH](C=O)[CH]1C[CH](SCCN=CN)C(=N1)C(O)=O
InChi:InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-10,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-,10-/m1/s1
Definition date:2015-11-14
Last modified:2024-09-27
Release date:2016-09-21
Identifier:(2~{R},4~{R})-4-[2-[(~{Z})-azanylmethylideneamino]ethylsulfanyl]-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
6IW
6IW
Name:(2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid
Formula:C6 H11 N O3
SMILES:CN1C[CH](O)C[CH]1C(O)=O
InChi:InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1
Definition date:2023-02-16
Last modified:2024-03-22
Release date:2024-03-27
Identifier:(2~{S},4~{S})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid
6EL
6EL
Name:2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
Formula:C13 H10 N2 O4
SMILES:O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1
InChi:InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1
Definition date:2016-05-11
Last modified:2018-02-02
Release date:2018-02-07
Identifier:2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
EF2
EF2
Name:S-Thalidomide
Formula:C13 H10 N2 O4
SMILES:O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O
InChi:InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
Definition date:2013-12-05
Last modified:2014-09-05
Release date:2014-07-16
Identifier:2-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
LF0
LF0
Name:(2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
Formula:C25 H27 N O4
SMILES:O=C(O)C(OC(C)(C)C)c4c(nc1c(cccc1)c4c3ccc2OCCCc2c3)C
InChi:InChI=1S/C25H27NO4/c1-15-21(23(24(27)28)30-25(2,3)4)22(18-9-5-6-10-19(18)26-15)17-11-12-20-16(14-17)8-7-13-29-20/h5-6,9-12,14,23H,7-8,13H2,1-4H3,(H,27,28)/t23-/m0/s1
Definition date:2012-12-21
Last modified:2013-04-26
Release date:2013-05-01
Identifier:(2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
UNU
UNU
Name:BENZAMIDE
Formula:C7 H7 N O
SMILES:O=C(N)c1ccccc1
InChi:InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
Definition date:2007-04-20
Last modified:2011-06-04
Identifier:benzamide
URI
URI
Name:URIDINE
Formula:C9 H12 N2 O6
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO
InChi:InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
Definition date:2001-03-08
Last modified:2011-06-04
Identifier:uridine

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数据于2024-10-16公开中

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