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Revision as of 17:57, 9 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 468056847 of page Sterigmatocystin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'KEGG', 'StdInChI', 'StdInChIKey', 'CASNo').← Previous edit Revision as of 17:57, 9 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 401002606 of page Sterubin for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{chembox
| verifiedrevid = 400106321
| ImageFile = Sterigmatocystin.png | ImageFile = Sterubin.png
| ImageSize = 200 | ImageSize = 200px
| IUPACName = (3a''R'',12c''S'')-8-hydroxy-6-methoxy-3a,12c-dihydro-7''H''-furofuroxanthen-7-one
| IUPACName = 2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-chroman-4-one
| OtherNames = Sterigmatocystin
| OtherNames = 7-Methoxy-3',4',5-trihydroxyflavanone
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| Abbreviations =
⚫ | ChemSpiderID = 1064932
⚫ | CASNo = <!-- blanked - oldvalue: 10048-13-2 -->
| InChI = 1/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
| EINECS =
| InChIKey = DSAJORLEPQBKDA-AWEZNQCLBS
| PubChem =
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ | ChemSpiderID = 4447522
| StdInChI = 1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3 | StdInChI = 1S/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = UTSVPXMQSFGQTM-UHFFFAOYSA-N | StdInChIKey = DSAJORLEPQBKDA-AWEZNQCLSA-N
| SMILES = COC1=C2C(=C34C=CO4OC3=C1)OC5=C(C2=O)C(=CC=C5)O
⚫ | CASNo = <!-- blanked - oldvalue: 51857-11-5 -->
| InChI =
| RTECS = | PubChem = 1268276
| SMILES = O=C2c3c(O(c1ccc(O)c(O)c1)C2)cc(OC)cc3O
| ChEBI =
| ChEMBL = <!-- blanked - oldvalue: 524291 -->
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = <!-- blanked - oldvalue: C00961 -->
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = C<sub>16</sub>H<sub>14</sub>O<sub>6</sub>
|C=18|H=12|O=6
| MolarMass = 324.28 g/mol | MolarMass = 302.28 g/mol
⚫ | Appearance =
| ExactMass = 324.063388 u
⚫ | Appearance =
| Density = | Density =
| MeltingPt = | MeltingPt =
| BoilingPt = | BoilingPt =
| Solubility = | Solubility = }}
⚫ | Section3 = {{Chembox Hazards
| SolubleOther =
| Solvent =
| pKa =
| pKb =
| IsoelectricPt =
| SpecRotation =
| RefractIndex =
| Viscosity =
| Dipole = }}
| Section5 = {{Chembox Pharmacology
| ATCCode =
| Bioavail =
| Metabolism =
| HalfLife =
| Excretion =
| PregCat =
| AdminRoutes = }}
⚫ | Section7 = {{Chembox Hazards
| EUClass =
| MainHazards = | MainHazards =
| NFPA-H =
| NFPA-F =
| NFPA-R =
| NFPA-O =
| RPhrases =
| SPhrases =
| RSPhrases =
| FlashPt = | FlashPt =
| Autoignition = | Autoignition = }}
| ExploLimits =
| PEL = }}
| Section9 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunctn =
| Function =
| OtherCpds = }}
}} }}

Revision as of 17:57, 9 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 401002606 of page Sterubin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-chroman-4-one
Other names 7-Methoxy-3',4',5-trihydroxyflavanone
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1Key: DSAJORLEPQBKDA-AWEZNQCLSA-N
  • InChI=1/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1Key: DSAJORLEPQBKDA-AWEZNQCLBS
SMILES
  • O=C2c3c(O(c1ccc(O)c(O)c1)C2)cc(OC)cc3O
Properties
Chemical formula C16H14O6
Molar mass 302.28 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound