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CHEBI:183359 - 1,5,8-Trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside

ChEBI IDCHEBI:183359
ChEBI Name1,5,8-Trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O11
Net Charge0
Average Mass422.342
Monoisotopic Mass422.08491
SMILESO=c1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2oc2c(O)ccc(O)c12
InChIInChI=1S/C19H18O11/c20-5-11-14(24)16(26)17(27)19(30-11)28-6-3-9(23)12-10(4-6)29-18-8(22)2-1-7(21)13(18)15(12)25/h1-4,11,14,16-17,19-24,26-27H,5H2/t11-,14-,16+,17-,19-/m1/s1
InChIKeyIOJCAEBIAPRCCI-FJMCMGCSSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
1,5,8-Trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside (CHEBI:183359) is a xanthones (CHEBI:51149)
IUPAC Name 
1,5,8-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Manual XrefsDatabases
29814968ChemSpider