CHEBI:228909 - Sodium danshensu

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ChEBI Name Sodium danshensu
ChEBI ID CHEBI:228909
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H9O5.Na
Net Charge 0
Average Mass 220.156
Monoisotopic Mass 220.03477
InChI InChI=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
InChIKey ZMMKVDBZTXUHFO-UHFFFAOYSA-M
SMILES [Na+].OC(CC1=CC(O)=C(O)C=C1)C([O-])=O
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
8352325 ChemSpider
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