CHEBI:169291 - 3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic acid

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ChEBI Name 3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic acid
ChEBI ID CHEBI:169291
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H10O8S
Net Charge 0
Average Mass 278.230
Monoisotopic Mass 278.00964
InChI InChI=1S/C9H10O8S/c10-6-2-1-5(3-7(6)11)4-8(9(12)13)17-18(14,15)16/h1-3,8,10-11H,4H2,(H,12,13)(H,14,15,16)
InChIKey NVEAHDYLAANZEW-UHFFFAOYSA-N
SMILES S(OC(CC1=CC(O)=C(O)C=C1)C(O)=O)(O)(=O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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 3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic acid (CHEBI:169291) is a benzenes (CHEBI:22712)
3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic acid (CHEBI:169291) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
3-(3,4-dihydroxyphenyl)-2-sulooxypropanoic acid
Manual Xrefs Databases
10208704 ChemSpider
HMDB0124972 HMDB
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