EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225976 - Bireticulol

ChEBI IDCHEBI:225976
ChEBI NameBireticulol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O10
Net Charge0
Average Mass442.376
Monoisotopic Mass442.09000
SMILESCOc1c(O)c(-c2c(O)c(OC)c(O)c3c(=O)oc(C)cc23)c2cc(C)oc(=O)c2c1O
InChIInChI=1S/C22H18O10/c1-7-5-9-11(15(23)19(29-3)17(25)13(9)21(27)31-7)12-10-6-8(2)32-22(28)14(10)18(26)20(30-4)16(12)24/h5-6,23-26H,1-4H3
InChIKeyKPZMGGATZAUIMT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21224860)
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
Bireticulol (CHEBI:225976) is a tannin (CHEBI:26848)
IUPAC Name 
5-(6,8-dihydroxy-7-methoxy-3-methyl-1-oxoisochromen-5-yl)-6,8-dihydroxy-7-methoxy-3-methylisochromen-1-one
Manual XrefsDatabases
28288565ChemSpider