EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185312 - {2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid

ChEBI IDCHEBI:185312
ChEBI Name{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14O9S
Net Charge0
Average Mass406.368
Monoisotopic Mass406.03585
SMILESCOc1c(C(=O)CC(=O)c2ccc(O)c(OS(=O)(=O)O)c2)ccc2occc12
InChIInChI=1S/C18H14O9S/c1-25-18-11(3-5-16-12(18)6-7-26-16)15(21)9-14(20)10-2-4-13(19)17(8-10)27-28(22,23)24/h2-8,19H,9H2,1H3,(H,22,23,24)
InChIKeyXLNZTNWNRBBGBI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid (CHEBI:185312) is a dihydrochalcones (CHEBI:71230)
IUPAC Name 
[2-hydroxy-5-[3-(4-methoxy-1-benzouran-5-yl)-3-oxopropanoyl]phenyl] hydrogen sulate
Manual XrefsDatabases
74852579ChemSpider
HMDB0129391HMDB