EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168542 - 5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,7-dimethoxy-4H-chromen-4-one

ChEBI IDCHEBI:168542
ChEBI Name5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,7-dimethoxy-4H-chromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O9
Net Charge0
Average Mass376.317
Monoisotopic Mass376.07943
SMILESCOC1=CC(O)(c2oc3c(O)c(OC)cc(O)c3c(=O)c2OC)C=CC1=O
InChIInChI=1S/C18H16O9/c1-24-10-6-9(20)12-14(22)16(26-3)17(27-15(12)13(10)21)18(23)5-4-8(19)11(7-18)25-2/h4-7,20-21,23H,1-3H3
InChIKeySSFLXQXQIUTJEE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,7-dimethoxy-4H-chromen-4-one (CHEBI:168542) is a chromone (CHEBI:72013)
IUPAC Name 
5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,7-dimethoxychromen-4-one
Manual XrefsDatabases
HMDB0129273HMDB
74852526ChemSpider