EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168164 - alpha-Hydrojuglone 4-O-b-D-glucoside

ChEBI IDCHEBI:168164
ChEBI Namealpha-Hydrojuglone 4-O-b-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O8
Net Charge0
Average Mass338.312
Monoisotopic Mass338.10017
SMILESOCC1OC(Oc2ccc(O)c3cccc(O)c23)C(O)C(O)C1O
InChIInChI=1S/C16H18O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-5-4-8(18)7-2-1-3-9(19)12(7)10/h1-5,11,13-22H,6H2
InChIKeyLASMTIIWUCJLEH-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)
alpha-Hydrojuglone 4-O-b-D-glucoside (CHEBI:168164) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(4,8-dihydroxynaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0034242HMDB