Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 09:36, 20 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,044 edits Saving copy of the {{chembox}} taken from revid 449644957 of page Santin_(flavonol) for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit		Revision as of 09:38, 20 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,044 edits Saving copy of the {{chembox}} taken from revid 474624361 of page Saxitoxin for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'StdInChI', 'StdInChIKey').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
			\| Verifiedfields = changed
	\| verifiedrevid = ~~448820626~~		\| verifiedrevid = 464387517
	\| Name = Santin
	\| ImageFile = ~~santin~~.~~PNG~~		\| ImageFile = Saxitoxin_structure.png
	\| ImageSize = ~~200px~~		\| ImageSize =
			\| IUPACName = (3a''S''-(3a-α,4-α,10a''R''*))-2,6-diamino-4-(((amino-carbonyl)oxy)methyl)-3a,4,8,9-tetrahydro-1''H'',10''H''-pyrrolo(1,2-c)purine-10,10-diol
	\| ImageName = Chemical structure of santin
			\| OtherNames =
	\| IUPACName = 5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
		⚫	\| Section1 = {{Chembox Identifiers
	\| OtherNames = 5,7-Dihydroxy-3,6,4'-trimethoxyflavone
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
⚫	\|Section1= {{Chembox Identifiers
	\| CASNo = <!-- ~~blanked - oldvalue: 27782-63-4 -->~~		\| CASNo = 35523-89-8
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| CASNo_Ref =
			\| ChEMBL = <!-- blanked - oldvalue: 501134 -->
	\| CASOther =
	\| ~~ChEMBL~~ = ~~161957~~		\| PubChem = 37165
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|changed\|chemspider}}
	\| PubChem = 5281695
			\| ChemSpiderID = 16736462
	\| SMILES = COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC
			\| KEGG_Ref = {{keggcite\|changed\|kegg}}
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|~~correct~~\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~4445012~~		\| KEGG = C13757
			\| SMILES = O=C(OC2/N=C(/N)N31(/N=C(\N12)N)C(O)(O)CC3)N
	\| InChI = 1/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
			\| InChI = 1/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
	\| InChIKey = DWZAJFZEYZIHPO-UHFFFAOYAB
			\| InChIKey = RPQXVSUAYFXFJA-HGRQIUPRBO
	\| StdInChI_Ref = {{stdinchicite\|~~correct~~\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|changed\|chemspider}}
	\| StdInChI = 1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
			\| StdInChI = 1S/C11H18N6O4/c12-7-4-1-2-10(19,20)11(4)6(16-8(13)17-11)5(15-7)3-21-9(14)18/h4-6,19-20H,1-3H2,(H2,12,15)(H2,14,18)(H3,13,16,17)/p+2/t4?,5?,6-,11+/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|~~correct~~\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
	\| StdInChIKey = ~~DWZAJFZEYZIHPO~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = ZDYJXQPUIPVTAJ-RIQMIMBASA-P
	\| MeSHName =
	}}
⚫	\|Section2= {{Chembox Properties
	\| Formula = C<sub>18</sub>H<sub>16</sub>O<sub>7</sub>
⚫	\| MolarMass = ~~344~~.31 g/mol
	\| ExactMass = 344.089603 u
⚫	\| Appearance =
⚫	\| Density =
⚫	\| MeltingPt = ~~<!-- °C -->~~
⚫	\| BoilingPt = ~~<!-- °C -->~~
⚫	\| Solubility =
	}}		}}
		⚫	\| Section2 = {{Chembox Properties
			\| Formula =
			\| C=10 \| H=17 \| N=7 \| O=4
		⚫	\| MolarMass = 299.29 g/mol
		⚫	\| Appearance =
		⚫	\| Density =
		⚫	\| MeltingPt =
		⚫	\| BoilingPt =
		⚫	\| Solubility = }}
			\| Section3 = {{Chembox Hazards
			\| MainHazards =
			\| FlashPt =
			\| Autoignition = }}
	}}		}}

Revision as of 09:38, 20 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 474624361 of page Saxitoxin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (3aS-(3a-α,4-α,10aR*))-2,6-diamino-4-(((amino-carbonyl)oxy)methyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo(1,2-c)purine-10,10-diol
Identifiers
CAS Number	35523-89-8
3D model (JSmol)	Interactive image
ChemSpider	16736462
KEGG	C13757
PubChem CID	37165
InChI InChI=1S/C11H18N6O4/c12-7-4-1-2-10(19,20)11(4)6(16-8(13)17-11)5(15-7)3-21-9(14)18/h4-6,19-20H,1-3H2,(H2,12,15)(H2,14,18)(H3,13,16,17)/p+2/t4?,5?,6-,11+/m0/s1Key: ZDYJXQPUIPVTAJ-RIQMIMBASA-P InChI=1/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1Key: RPQXVSUAYFXFJA-HGRQIUPRBO
SMILES O=C(OC2/N=C(/N)N31(/N=C(\N12)N)C(O)(O)CC3)N
Properties
Chemical formula	C₁₀H₁₇N₇O₄
Molar mass	299.29 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

Chemical compound