C.I. Acid Red 13 (CHEBI:180880)

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CHEBI:180880 - C.I. Acid Red 13

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ChEBI ID	CHEBI:180880
ChEBI Name	C.I. Acid Red 13
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H12N2O7S2.2Na
Net Charge	0
Average Mass	502.437
Monoisotopic Mass	501.98813
SMILES	O=S(=O)([O-])c1ccc2c(/N=N/c3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)ccc2c1.[Na+].[Na+]
InChI	InChI=1S/C20H14N2O7S2.2Na/c23-18-9-5-12-11-13(30(24,25)26)6-7-14(12)20(18)22-21-17-8-10-19(31(27,28)29)16-4-2-1-3-15(16)17;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-21+;;
InChIKey	YCDHVKWTZBVDKD-ZPZFBZIMSA-L

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood serum (BTO:0000133)	Article

ChEBI Ontology

Outgoing Relation(s)
	C.I. Acid Red 13 (CHEBI:180880) is a monoazo compound (CHEBI:48959)
	C.I. Acid Red 13 (CHEBI:180880) is a naphthalenes (CHEBI:25477)

IUPAC Name
disodium;6-hydroxy-5-[(4-sulonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulonate

Manual Xrefs	Databases
21159618	ChemSpider