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

< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively ← Previous edit Next edit →Content deleted Content addedVisual WikitextInline

Revision as of 14:33, 21 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 455922307 of page Homoserine for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit		Revision as of 14:36, 21 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 443860316 of page Humulene for the Chem/Drugbox validation project (updated: 'ChEMBL').Next edit →
Line 1:		Line 1:
	{{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 = 443859131
	\| Verifiedfields = changed
			\| Name = Humulene
⚫	\| verifiedrevid = ~~402148997~~
		⚫	\| ImageFile = Humulene.png
	\| Name = <small>L</small>-Homoserine
		⚫	\| ImageSize = 150px
	\| ImageFile_Ref = {{chemboximage\|correct\|??}}
		⚫	\| ImageName = Humulene
⚫	\| ImageFile = ~~L-Homoserin~~.~~svg~~
			\| ImageFile2 = Humulene3DModel.png
⚫	\| ImageSize = ~~180px~~
			\| ImageSize = 150px
⚫	\| ImageName = ~~Skeletal formula~~
			\| IUPACName = 2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene
	\| ImageFile1 = L-Homoserine-zwitterion-3D-balls.png
			\| OtherNames = alpha-Caryophyllene; 3,7,10-Humulatriene<ref>{{ChEMBL = 251280
	\| ImageSize1 = 120px
			\| PubChem\|5281520}}</ref>
	\| ImageName1 = Ball-and-stick model of the zwitterion
	\| IUPACName = (''S'')-2-Amino-4-hydroxybutanoic acid
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
	\| InChI = 1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
⚫	\| ChEBI_Ref = {{ebicite\|~~changed~~\|EBI}}
⚫	\| ChEBI = ~~30653~~
	\| SMILES = O=C(O)C(N)CCO
	\| InChIKey = UKAUYVFTDYCKQA-UHFFFAOYAZ
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| StdInChIKey = ~~UKAUYVFTDYCKQA~~-~~UHFFFAOYSA~~-N
⚫	\| CASNo = ~~672~~-15-1
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| EC-number = 211-590-6
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~758~~		\| ChemSpiderID = 4444853
	\| ~~PubChem~~ = ~~779~~		\| ChEMBL = 251280
			\| PubChem = 5281520
	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
			\| InChI = 1/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
	\| ChEMBL = <!-- blanked - oldvalue: 11722 -->
			\| InChIKey = FAMPSKZZVDUYOS-HRGUGZIWBF
⚫	}}
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChIKey = FAMPSKZZVDUYOS-HRGUGZIWSA-N
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	\| CASNo = 6753-98-6
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| ChEBI = 5768
			\| SMILES = C\1=C/C(C)(C)C/C=C(/CC/C=C(/C/1)C)C}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| Reference = <ref>'']'', 12th Edition, '''4789'''</ref>
	\| Formula = C<sub>4</sub>H<sub>9</sub>NO<sub>3</sub>
			\| C=15\|H=24
	\| MolarMass = 119.12 g/mol
			\| Density = 0.886 g/cm<sup>3</sup>
	}}
			\| Appearance = Pale yellowish green clear liquid
			\| Melting Pt = <25 °C
			\| BoilingPt = 106-107 °C at 5 mmHg
		⚫	}}
			\| Section3 = {{Chembox Hazards
			\| ExternalMSDS =
			\| LD50 = >48 mg/kg}}
	}}		}}

Revision as of 14:36, 21 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 443860316 of page Humulene with values updated to verified values.

Humulene
Names
Humulene

IUPAC name 2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene
Other names alpha-Caryophyllene; 3,7,10-Humulatriene
Identifiers
CAS Number	6753-98-6
3D model (JSmol)	Interactive image
ChEBI	CHEBI:5768
ChEMBL	ChEMBL251280
ChemSpider	4444853
PubChem CID	5281520
InChI InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+Key: FAMPSKZZVDUYOS-HRGUGZIWSA-N InChI=1/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+Key: FAMPSKZZVDUYOS-HRGUGZIWBF
SMILES C\1=C/C(C)(C)C/C=C(/CC/C=C(/C/1)C)C
Properties
Chemical formula	C₁₅H₂₄
Molar mass	204.357 g·mol
Appearance	Pale yellowish green clear liquid
Density	0.886 g/cm
Boiling point	106-107 °C at 5 mmHg
Hazards
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	>48 mg/kg
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound

Template:ChEMBL = 251280
Merck Index, 12th Edition, 4789