EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193423 - 4-[3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]benzene-1,2,3,5-tetrol

ChEBI IDCHEBI:193423
ChEBI Name4-[3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]benzene-1,2,3,5-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O7
Net Charge0
Average Mass308.286
Monoisotopic Mass308.08960
SMILESOc1ccc(CC(O)Cc2c(O)cc(O)c(O)c2O)cc1O
InChIInChI=1S/C15H16O7/c16-8(3-7-1-2-10(17)12(19)4-7)5-9-11(18)6-13(20)15(22)14(9)21/h1-2,4,6,8,16-22H,3,5H2
InChIKeyIGIDNCMLNBKEQM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
4-[3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]benzene-1,2,3,5-tetrol (CHEBI:193423) is a phenols (CHEBI:33853)
IUPAC Name 
4-[3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]benzene-1,2,3,5-tetrol
Manual XrefsDatabases
74852123ChemSpider