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

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Revision as of 15:53, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465417270 of page Veratraldehyde for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 15:53, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464978773 of page Veratridine for the Chem/Drugbox validation project (updated: 'ChEMBL').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 = 402873069
	\| Watchedfields = changed
			\| ImageFile = Veratridine structure.png
⚫	\| verifiedrevid = ~~444244394~~
			\| ImageSize = 250px
	\| ImageFile = Veratrumaldehyd.svg
	\| ~~ImageSize~~ = ~~150px~~		\| IUPACName =
			\| OtherNames = Veratrine<br>3-Veratroylveracevine
	\| IUPACName = 3,4-Dimethoxybenzaldehyde
	\| OtherNames = Methylvanillin; Veratric aldehyde; Veratral; Veratryl aldehyde; Veratrum aldehyde; Vanillin methyl ether
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| InChI = 1/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23?,24-,25-,26-,27-,28?,30-,31+,32+,33+,34+,35-,36-/m0/s1
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| InChIKey = FVECELJHCSPHKY-XHAQNIINBL
	\| UNII = UI88P68JZD
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| InChI = 1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
			\| StdInChI = 1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23?,24-,25-,26-,27-,28?,30-,31+,32+,33+,34+,35-,36-/m0/s1
	\| InChIKey1 = WJUFSDZVCOTFON-UHFFFAOYSA-N
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| InChI1 = 1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
		⚫	\| StdInChIKey = FVECELJHCSPHKY-XHAQNIINSA-N
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = ~~120~~-14-9		\| CASNo = 71-62-5
			\| ChEMBL = <!-- blanked - oldvalue: 451227 -->
	\| PubChem = 8419
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| PubChem = 6280
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~21106008~~		\| ChemSpiderID=16498858
			\| IUPHAR_ligand = 2626
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| SMILES = COc1ccc(cc1OC)C(=O)OC6CC8(C)C7CC38(C4(O)5CN2C(C)CC2(C)(O)5(O)(O)C34O)O67O
	\| ChEBI = 17098
		⚫	}}
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| StdInChIKey = ~~WJUFSDZVCOTFON~~-~~UHFFFAOYSA~~-N
	\| SMILES = COc1cc(ccc1OC)C=O
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 1088937
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| Formula = C<sub>36</sub>H<sub>51</sub>NO<sub>11</sub>
	\| C=9\|H=10\|O=3
			\| MolarMass = 673.79 g/mol
	\| Appearance = Peach coloured crystals
	\| ~~Density~~ =		\| Appearance =
			\| Density =
	\| MeltingPt = 40–43 °C
	\| ~~BoilingPtC~~ = ~~281~~		\| MeltingPt =
	\| ~~Solubility~~ =		\| BoilingPt =
			\| Solubility =
	}}		}}
	\| Section3 = {{Chembox Hazards		\| Section3 = {{Chembox Hazards
	\| MainHazards = ~~Xn Harmful~~		\| MainHazards =
	\| FlashPt =		\| FlashPt =
	\| Autoignition =		\| Autoignition =
	}}		}}
	}}		}}

Revision as of 15:53, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 464978773 of page Veratridine with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

Other names Veratrine 3-Veratroylveracevine
Identifiers
CAS Number	71-62-5
3D model (JSmol)	Interactive image
ChemSpider	16498858
IUPHAR/BPS	2626
PubChem CID	6280
InChI InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23?,24-,25-,26-,27-,28?,30-,31+,32+,33+,34+,35-,36-/m0/s1Key: FVECELJHCSPHKY-XHAQNIINSA-N InChI=1/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23?,24-,25-,26-,27-,28?,30-,31+,32+,33+,34+,35-,36-/m0/s1Key: FVECELJHCSPHKY-XHAQNIINBL
SMILES COc1ccc(cc1OC)C(=O)OC6CC8(C)C7CC38(C4(O)5CN2C(C)CC2(C)(O)5(O)(O)C34O)O67O
Properties
Chemical formula	C₃₆H₅₁NO₁₁
Molar mass	673.79 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