EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229853 - catechin 7-sulfate

ChEBI IDCHEBI:229853
ChEBI Namecatechin 7-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O9S
Net Charge0
Average Mass370.335
Monoisotopic Mass370.03585
SMILESO=S(=O)(O)Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
InChIInChI=1S/C15H14O9S/c16-10-2-1-7(3-12(10)18)15-13(19)6-9-11(17)4-8(5-14(9)23-15)24-25(20,21)22/h1-5,13,15-19H,6H2,(H,20,21,22)/t13-,15+/m0/s1
InChIKeyRTMISWLJQDWIPT-DZGCQCFKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
catechin 7-sulfate (CHEBI:229853) is a catechin (CHEBI:23053)
IUPAC Name 
[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] hydrogen sulate
Manual XrefsDatabases
128424186ChemSpider
HMDB0240436HMDB