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CHEBI:180745 - {2-hydroxy-5-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)propanoyl]phenyl}oxidanesulfonic acid

ChEBI IDCHEBI:180745
ChEBI Name{2-hydroxy-5-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)propanoyl]phenyl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O8S
Net Charge0
Average Mass434.466
Monoisotopic Mass434.10354
SMILESCOc1c(CCC(=O)c2ccc(O)c(OS(=O)(=O)O)c2)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C21H22O8S/c1-21(2)11-10-15-18(28-21)9-6-13(20(15)27-3)4-7-16(22)14-5-8-17(23)19(12-14)29-30(24,25)26/h5-6,8-12,23H,4,7H2,1-3H3,(H,24,25,26)
InChIKeySSJHLHCONJYQSW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
{2-hydroxy-5-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)propanoyl]phenyl}oxidanesulfonic acid (CHEBI:180745) is a dihydrochalcones (CHEBI:71230)
IUPAC Name 
[2-hydroxy-5-[3-(5-methoxy-2,2-dimethylchromen-6-yl)propanoyl]phenyl] hydrogen sulate
Manual XrefsDatabases
74851806ChemSpider
HMDB0125889HMDB