EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214050 - 8-hydroxy-3-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyisochromen-1-one

ChEBI IDCHEBI:214050
ChEBI Name8-hydroxy-3-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyisochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O9
Net Charge0
Average Mass354.311
Monoisotopic Mass354.09508
SMILESCc1cc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c2c(=O)o1
InChIInChI=1S/C16H18O9/c1-6-2-7-3-8(4-9(18)11(7)15(22)23-6)24-16-14(21)13(20)12(19)10(5-17)25-16/h2-4,10,12-14,16-21H,5H2,1H3
InChIKeyYHZWVIFJFYUGLA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Torrubiella (ncbitaxon:153665) - PubMed (19456117)
ChEBI Ontology
Outgoing Relation(s)
8-hydroxy-3-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyisochromen-1-one (CHEBI:214050) is a glycoside (CHEBI:24400)
IUPAC Name 
8-hydroxy-3-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyisochromen-1-one
Manual XrefsDatabases
78444169ChemSpider