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CHEBI:228909 - Sodium danshensu

ChEBI IDCHEBI:228909
ChEBI NameSodium danshensu
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H9O5.Na
Net Charge0
Average Mass220.156
Monoisotopic Mass220.03477
SMILESO=C([O-])C(O)Cc1ccc(O)c(O)c1.[Na+]
InChIInChI=1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14;/h1-3,8,10-12H,4H2,(H,13,14);/q;+1/p-1
InChIKeyZMMKVDBZTXUHFO-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sodium danshensu (CHEBI:228909) is a benzenes (CHEBI:22712)
Sodium danshensu (CHEBI:228909) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
sodium;3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
Manual XrefsDatabases
8352325ChemSpider