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CHEBI:180754 - Azorubine

ChEBI IDCHEBI:180754
ChEBI NameAzorubine
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SubmitterMetaboLights
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FormulaC20H14N2O7S2
Net Charge0
Average Mass458.473
Monoisotopic Mass458.02424
SMILESO=S(=O)(O)c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)c2ccccc12
InChIInChI=1S/C20H14N2O7S2/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16/h1-11,23H,(H,24,25,26)(H,27,28,29)/b22-21+
InChIKeyTVWOWDDBXAFQDG-QURGRASLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
Bos taurus (ncbitaxon:9913)
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Azorubine (CHEBI:180754) is a naphthalenesulfonic acid (CHEBI:36336)
IUPAC Name 
4-hydroxy-3-[(4-sulonaphthalen-1-yl)diazenyl]naphthalene-1-sulonic acid
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21160162ChemSpider