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CHEBI:189787 - Patuletin 7-O-sulfate

ChEBI IDCHEBI:189787
ChEBI NamePatuletin 7-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O11S
Net Charge0
Average Mass412.328
Monoisotopic Mass412.01003
SMILESCOc1c(OS(=O)(=O)O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
InChIInChI=1S/C16H12O11S/c1-25-16-10(27-28(22,23)24)5-9-11(13(16)20)12(19)14(21)15(26-9)6-2-3-7(17)8(18)4-6/h2-5,17-18,20-21H,1H3,(H,22,23,24)
InChIKeyZZGGTOGGQXZBDV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
ChEBI Ontology
Outgoing Relation(s)
Patuletin 7-O-sulfate (CHEBI:189787) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxochromen-7-yl] hydrogen sulate
Manual XrefsDatabases
LMPK12113029LIPID MAPS
24845591ChemSpider