EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:82522 - Ponceau SX

Default Structure
ChEBI IDCHEBI:82522
ChEBI NamePonceau SX
Stars
DownloadsMolfile
FormulaC18H14N2O7S2.2Na
Net Charge0
Average Mass480.431
Monoisotopic Mass480.00378
SMILESCc1cc(C)c(S(=O)(=O)[O-])cc1/N=N/c1cc(O)c2ccccc2c1S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C18H16N2O7S2.2Na/c1-10-7-11(2)17(28(22,23)24)9-14(10)19-20-15-8-16(21)12-5-3-4-6-13(12)18(15)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;
InChIKeyUBCRUPQPEJKSMS-LLIZZRELSA-L
ChEBI Ontology
Outgoing Relation(s)
Ponceau SX (CHEBI:82522) is a organic molecular entity (CHEBI:50860)
Synonym  Source
C.I. 14700KEGG COMPOUND
Manual XrefsDatabases
C19510KEGG COMPOUND
Registry NumbersSources
CAS:4548-53-2KEGG COMPOUND