EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:188381 - (2-benzyl-2,4,6-trihydroxy-2,3-dihydro-1-benzofuran-3-yl)oxidanesulfonic acid

ChEBI IDCHEBI:188381
ChEBI Name(2-benzyl-2,4,6-trihydroxy-2,3-dihydro-1-benzofuran-3-yl)oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O8S
Net Charge0
Average Mass354.336
Monoisotopic Mass354.04094
SMILESO=S(=O)(O)OC1c2c(O)cc(O)cc2OC1(O)Cc1ccccc1
InChIInChI=1S/C15H14O8S/c16-10-6-11(17)13-12(7-10)22-15(18,14(13)23-24(19,20)21)8-9-4-2-1-3-5-9/h1-7,14,16-18H,8H2,(H,19,20,21)
InChIKeyQWOHADMUCKBAHX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
(2-benzyl-2,4,6-trihydroxy-2,3-dihydro-1-benzofuran-3-yl)oxidanesulfonic acid (CHEBI:188381) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2-benzyl-2,4,6-trihydroxy-3H-1-benzouran-3-yl) hydrogen sulate
Manual XrefsDatabases
HMDB0133592HMDB
74853391ChemSpider