EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206298 - Xylariacyclone A

ChEBI IDCHEBI:206298
ChEBI NameXylariacyclone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O8
Net Charge0
Average Mass340.328
Monoisotopic Mass340.11582
SMILESCOC1=CC(=O)[C@H](Oc2cc(OC)c(O)c(C)c2O)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C16H20O8/c1-7-12(18)9(22-3)6-10(13(7)19)24-15-8(17)5-11(23-4)14(20)16(15,2)21/h5-6,14-15,18-21H,1-4H3/t14-,15-,16-/m0/s1
InChIKeyBXTKFJOTXLUZOE-JYJNAYRXSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.tet.2013.10.063)
ChEBI Ontology
Outgoing Relation(s)
Xylariacyclone A (CHEBI:206298) is a methoxybenzenes (CHEBI:51683)
Xylariacyclone A (CHEBI:206298) is a phenols (CHEBI:33853)
IUPAC Name 
(4R,5S,6R)-6-(2,4-dihydroxy-5-methoxy-3-methylphenoxy)-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
Manual XrefsDatabases
78438402ChemSpider