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

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Revision as of 15:55, 24 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444042942 of page Patulin for the Chem/Drugbox validation project (updated: 'KEGG').← Previous edit		Revision as of 15:56, 24 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 400843689 of page Paxilline for the Chem/Drugbox validation project (updated: 'ChEMBL', '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 = 400842436
	\| Verifiedfields = changed
			\|ImageFile=Paxilline.png
⚫	\| verifiedrevid = ~~408789487~~
			\|ImageSize=200px
	\| Reference = <ref name="Merck"/>
			\|IUPACName= (2''R'',4b''S'',6a''S'',12b''S'',12c''R'',14a''S'')-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2''H''-chromenoindenoindol-3(4b''H'')-one
	\| ImageFileL1 = Patulin.png
			\|OtherNames=
	\| ImageSizeL1 = 120px
		⚫	\|Section1={{Chembox Identifiers
	\| ImageFileR1=Patulin_3d_structure.png
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ImageSizeR2 = 120px
		⚫	\| ChemSpiderID = 94753
	\| IUPACName = 4-hydroxy-4''H''-furopyran-2(6''H'')-one
			\| InChI = 1/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1
	\| OtherNames = 2-Hydroxy-3,7-dioxabicyclonona-5,9-dien-8-one<br />
			\| InChIKey = ACNHBCIZLNNLRS-UBGQALKQBX
	Clairformin<br />Claviform<br />Expansine<br />Clavacin<br />Clavatin<br />Expansin<br />Gigantin<br />Leucopin<br />Patuline
⚫	\| Section1 = {{Chembox Identifiers
	\| Abbreviations =
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~4534~~
	\| InChI = 1/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
	\| InChIKey = ZRWPUFFVAOMMNM-UHFFFAOYAU
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 294018
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1
	\| StdInChI = 1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~ZRWPUFFVAOMMNM~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = ACNHBCIZLNNLRS-UBGQALKQSA-N
		⚫	\| CASNo = <!-- blanked - oldvalue: 57186-25-1 -->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ~~CASNo~~ = ~~149-29-1~~		\| ChEMBL = 410063
		⚫	\| PubChem=105008
	\| EINECS = 205-735-2
			\| SMILES = O=C5/C=C6/4(O)CC3Cc2c1ccccc1nc23(4(CC6O5C(O)(C)C)C)C
⚫	\| PubChem = ~~4696~~
		⚫	\| MeSHName=Paxilline
	\| KEGG_Ref = {{keggcite\|changed\|kegg}}
			}}
⚫	\| ~~KEGG~~ = <!-- blanked - oldvalue: ~~C16748~~ -->
		⚫	\|Section2={{Chembox Properties
	\| UNII_Ref = {{fdacite\|changed\|FDA}}
		⚫	\|C=27\|H=33\|N=1\|O=4
	\| UNII = 95X2BV4W8R
		⚫	\| MolarMass=435.56 g/mol
	\| SMILES = O=C\1O/C2=C/COC(O)C2=C/1
		⚫	\| Appearance=
	\| InChI =
	\| ~~RTECS~~ =		\| Density=
			\| MeltingPt=
⚫	\| ~~MeSHName~~ =
		⚫	\| BoilingPt=
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ~~ChEBI~~ =		\| Solubility=
			}}
	\| ATCCode_prefix =
		⚫	\|Section3={{Chembox Hazards
	\| ATCCode_suffix =
		⚫	\| MainHazards=
	\| ATC_Supplemental =}}
		⚫	\| FlashPt=
⚫	\| Section2 = {{Chembox Properties
		⚫	\| Autoignition=
⚫	\| C=7\|H=6\|O=4
			}}
⚫	\| MolarMass = ~~154~~.12 g/mol
⚫	\| Appearance = ~~Compact prisms~~
	\| Density =
	\| MeltingPtC = 110
	\| Melting_notes =
⚫	\| BoilingPt =
	\| Boiling_notes =
	\| Solubility = Soluble
	\| SolubleOther =
	\| Solvent =
	\| pKa =
	\| pKb = }}
⚫	\| ~~Section7~~ = {{Chembox Hazards
	\| EUClass =
	\| EUIndex =
⚫	\| MainHazards =
	\| NFPA-H =
	\| NFPA-F =
	\| NFPA-R =
	\| NFPA-O =
	\| RPhrases =
	\| SPhrases =
	\| RSPhrases =
⚫	\| FlashPt =
⚫	\| Autoignition =
	\| ExploLimits =
	\| PEL = }}
	}}		}}

Revision as of 15:56, 24 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 400843689 of page Paxilline with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (2R,4bS,6aS,12bS,12cR,14aS)-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromenoindenoindol-3(4bH)-one
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL410063
ChemSpider	94753
MeSH	Paxilline
PubChem CID	105008
InChI InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1Key: ACNHBCIZLNNLRS-UBGQALKQSA-N InChI=1/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1Key: ACNHBCIZLNNLRS-UBGQALKQBX
SMILES O=C5/C=C6/4(O)CC3Cc2c1ccccc1nc23(4(CC6O5C(O)(C)C)C)C
Properties
Chemical formula	C₂₇H₃₃NO₄
Molar mass	435.56 g/mol
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