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To have your blog items show up on this page, use the semantic markup for InChI's and SMILES, using microformats or RDFa. For example, write <span class="chem:smiles">CCCOC<span> instead of just CCCOC, or <span class="chem:inchi">InChI=1/bla<span> instead of InChI=1/bla.

InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89
InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89
InChIKey=IEVAIKYDXFEOHW-UHFFFAOYSA
PubChem: 22834585
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Posts

The crystal structure of the P450 monooxygenase from Actinoplanes teichomyceticus (CYP165D3) involved in biosynthesis of antibiotic teicoplanin has been solved [1].Li, Z., Rupasinghe, S., Schuler, M. and Nair, S.K. (2011) Crystal structure of a phenol-coupling...
aspartame
InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChIKey=IAOZJIPTCAWIRG-QWRGUYRKSA
PubChem: 134601
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Posts

Aspartame is an artificial, non-saccharide, sweetener used as a sugar substitute in some foods and beverages usually so that they can be labelled as “lite” or “diet” products. In the European Union, it is coded as E951. Aspartame is...
cyclohexane
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChIKey=XDTMQSROBMDMFD-UHFFFAOYSA
PubChem: 8078
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Posts

Sometimes you make decisions which turn out unlucky. Christoph, Dan, and I made one about 10 years ago (see this photo from Dan with his whiteboard where we wrote down our thoughts). The one I am talking about is not bad in itself, but the implementation...
vanillic acid
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey=WKOLLVMJNQIZCI-UHFFFAOYSA
PubChem: 8468
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
methyl p-hydroxybenzoate
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKey=LXCFILQKKLGQFO-UHFFFAOYSA
PubChem: 7456
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
trans-cinnamic acid
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey=WBYWAXJHAXSJNI-GCURPGTCSA
PubChem: 444539
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
coumaric acid
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChIKey=NGSWKAQJJWESNS-CFQHBETGSA
PubChem: 637542
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
ferulic acid
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKey=KSEBMYQBYZTDHS-WQXFOKTFSA
PubChem: 445858
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
butanoic acid
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA
PubChem: 264
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
cyclic amp
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey=IVOMOUWHDPKRLL-KQYNXXCUSA
PubChem: 6076
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Posts

On March 1st, 2011, the FDA approved Roflumilast (tradename:Daxas tradename:Daliresp) for the treatment of patients with chronic obstructive pulmonary disease (COPD) a chronic and serious disease involving restriction of full lung function. The narrowing of...