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CHEBI:169468 - [3-(3,5,7-trihydroxy-6-methoxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:169468
ChEBI Name[3-(3,5,7-trihydroxy-6-methoxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O10S
Net Charge0
Average Mass396.329
Monoisotopic Mass396.01512
SMILESCOc1c(O)cc2oc(-c3cccc(OS(=O)(=O)O)c3)c(O)c(=O)c2c1O
InChIInChI=1S/C16H12O10S/c1-24-16-9(17)6-10-11(13(16)19)12(18)14(20)15(25-10)7-3-2-4-8(5-7)26-27(21,22)23/h2-6,17,19-20H,1H3,(H,21,22,23)
InChIKeyWZLXWZSRAYHSTF-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)
[3-(3,5,7-trihydroxy-6-methoxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid (CHEBI:169468) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
[3-(3,5,7-trihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
74852358ChemSpider
HMDB0128825HMDB