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CHEBI:169619 - [2,6-dihydroxy-3-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:169619
ChEBI Name[2,6-dihydroxy-3-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10O12S
Net Charge0
Average Mass414.300
Monoisotopic Mass413.98930
SMILESO=c1c(O)c(-c2ccc(O)c(OS(=O)(=O)O)c2O)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C15H10O12S/c16-5-2-1-4(9(18)15(5)27-28(23,24)25)14-13(22)12(21)8-7(26-14)3-6(17)10(19)11(8)20/h1-3,16-20,22H,(H,23,24,25)
InChIKeyQADDZZPGFCLFRI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
[2,6-dihydroxy-3-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid (CHEBI:169619) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
[2,6-dihydroxy-3-(3,5,6,7-tetrahydroxy-4-oxochromen-2-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
74852593ChemSpider
HMDB0129448HMDB