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CHEBI:196993 - SOTS-1

ChEBI IDCHEBI:196993
ChEBI NameSOTS-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14N2O6
Net Charge0
Average Mass330.296
Monoisotopic Mass330.08519
SMILESO=C(O)c1ccc(CO/N=N/OCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H14N2O6/c19-15(20)13-5-1-11(2-6-13)9-23-17-18-24-10-12-3-7-14(8-4-12)16(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22)/b18-17+
InChIKeyKNKCXZHPOIMNJH-ISLYRVAYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
SOTS-1 (CHEBI:196993) is a benzoic acids (CHEBI:22723)
IUPAC Name 
4-[[(E)-(4-carboxyphenyl)methoxydiazenyl]oxymethyl]benzoic acid
Manual XrefsDatabases
28467768ChemSpider