Revision as of 10:02, 15 February 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,294 edits Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: ChEMBL KEGG.← Previous edit |
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{{chembox |
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{{chembox |
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| Verifiedfields = changed |
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| verifiedrevid = 399698354 |
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| Watchedfields = changed |
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| Name = Butin |
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| verifiedrevid = 414038409 |
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| ImageFile = Butin.png |
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| ImageSize = 200px |
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| Name = Butin |
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| ImageFile = Butin.png |
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| IUPACName = (2''S'')-2-(3,4-Dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one |
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| ImageSize = 200px |
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| OtherNames = 3',4',7-Trihydroxyflavanone; 5-Deoxyeriodictyol |
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| IUPACName = (2''S'')-3′,4′,7-Trihydroxyflavan-4-one |
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| Section1= {{Chembox Identifiers |
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| SystematicName = (2''S'')-2-(3,4-Dihydroxyphenyl)-7-hydroxy-4''H''-1-benzopyran-4-one |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| OtherNames = 5-Deoxyeriodictyol |
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|Section1={{Chembox Identifiers |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 83750 |
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| ChemSpiderID = 83750 |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = C09614 |
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| KEGG = C09614 |
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| ChEBI_Ref = {{ebicite|changed|EBI}} |
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| ChEBI = 27725 |
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| InChI = 1/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1 |
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| InChI = 1/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1 |
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| InChIKey = MJBPUQUGJNAPAZ-AWEZNQCLBW |
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| InChIKey = MJBPUQUGJNAPAZ-AWEZNQCLBW |
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| SMILES1 = O=C2c3c(O(c1ccc(O)c(O)c1)C2)cc(O)cc3 |
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| SMILES1 = O=C2c3c(O(c1ccc(O)c(O)c1)C2)cc(O)cc3 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 451168 |
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| ChEMBL = 451168 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = MJBPUQUGJNAPAZ-AWEZNQCLSA-N |
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| StdInChIKey = MJBPUQUGJNAPAZ-AWEZNQCLSA-N |
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| CASNo_Ref = {{cascite|correct|??}} |
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| CASNo = 492-14-8 |
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| CASNo = 492-14-8 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| PubChem = 92775 |
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| UNII = S23T8BI9DD |
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| SMILES = C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)OC1(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O |
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| PubChem = 92775 |
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| SMILES = C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)OC1(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O |
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| Section2= {{Chembox Properties |
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|Section2={{Chembox Properties |
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| C=15 | H=12 | O=5 |
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| Formula = C<sub>15</sub>H<sub>12</sub>O<sub>5</sub> |
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| Appearance = |
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| MolarMass = 272.25 g/mol |
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| ExactMass = 272.068473 |
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| Density = 1.485 g/mL |
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| MeltingPt= |
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| Appearance = |
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| Section3= {{Chembox Hazards |
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|Section3={{Chembox Hazards |
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| MainHazards= |
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| MainHazards= |
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| FlashPt= |
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| FlashPt= |
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| AutoignitionPt = |
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| Autoignition= |
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'''Butin''' is a ], a type of flavonoid. It can be found in the seeds of '']''<ref></ref> (Asteraceae) and in the wood of '']''<ref></ref> (Fabaceae). |
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'''Butin''' is a ], a type of flavonoid. The compound can be found in the seeds of '']''<ref>{{cite journal | pmid = 15499936 | date = 2004 | last1 = Tian | first1 = G. | last2 = Zhang | first2 = U. | last3 = Zhang | first3 = T. | last4 = Yang | first4 = F. | last5 = Ito | first5 = Y. | title = Separation of flavonoids from the seeds of Vernonia anthelmintica Willd by high-speed counter-current chromatography | journal = Journal of Chromatography A | volume = 1049 | issue = 1–2 | pages = 219–222 | doi = 10.1016/S0021-9673(04)01276-2 }}</ref> (Asteraceae) and in the wood of '']''<ref>{{cite journal | doi = 10.1016/j.jpba.2005.04.007 | title = Simultaneous determination of 10 major flavonoids in Dalbergia odorifera by high performance liquid chromatography | date = 2005 | last1 = Liu | first1 = Rong-Xia | last2 = Wang | first2 = Qiao | last3 = Guo | first3 = Hong-Zhu | last4 = Li | first4 = Li | last5 = Bi | first5 = Kai-Shun | last6 = Guo | first6 = De-An | journal = Journal of Pharmaceutical and Biomedical Analysis | volume = 39 | issue = 3–4 | pages = 469–476 | pmid = 15935596 }}</ref> (Fabaceae). |
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==Glycosides== |
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==Glycosides== |
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* Butin 7-''O''-β-<small>D</small>-] is found in '']''<ref></ref> (Asteraceae). |
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* Butin 7-''O''-β-<small>D</small>-glucopyranoside is found in '']''<ref>{{Cite journal|doi=10.1007/BF00563663|title=Flavonoids of Bidens tripartita II|journal=Chemistry of Natural Compounds|volume=8|issue=4|pages=439–441|year=1972|last1=Serbin|first1=A. G|last2=Borisov|first2=M. I|last3=Chernobai|first3=V. T|s2cid=4813333}}</ref> (Asteraceae). |
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==References== |
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==References== |
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{{Reflist}} |
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{{Reflist}} |
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{{Flavanone}} |
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{{Flavanone}} |
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{{Polyphenol-stub}} |
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{{Aromatic-stub}} |