Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

This is an old revision of this page, as edited by Beetstra (talk | contribs) at 14:21, 17 February 2012 (Saving copy of the {{chembox}} taken from revid 477352304 of page Axillarin for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 14:21, 17 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 477352304 of page Axillarin for the Chem/Drugbox validation project (updated: 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)

This page contains a copy of the infobox ({{chembox}}) taken from revid 477352304 of page Axillarin with values updated to verified values.

Axillarin
Names

IUPAC name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one
Other names DMQT 3,6-Dimethoxyquercetagetin Quercetagetin 3,6-dimethyl ether 3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL487810
ChemSpider	4444922
PubChem CID	5281603
InChI InChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3Key: KIGVXRGRNLQNNI-UHFFFAOYSA-N InChI=1/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3Key: KIGVXRGRNLQNNI-UHFFFAOYAX
SMILES COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)O
Properties
Chemical formula	C₁₇H₁₄O₈
Molar mass	346.28 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

Chemical compound