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CHEBI:185866 - 1-Hydroxy-3-methoxy-7-primeverosyloxyxanthone

ChEBI IDCHEBI:185866
ChEBI Name1-Hydroxy-3-methoxy-7-primeverosyloxyxanthone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O14
Net Charge0
Average Mass552.485
Monoisotopic Mass552.14791
SMILESCOc1cc(O)c2c(=O)c3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)ccc3oc2c1
InChIInChI=1S/C25H28O14/c1-34-10-5-12(26)17-15(6-10)38-14-3-2-9(4-11(14)18(17)28)37-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)13(27)7-35-24/h2-6,13,16,19-27,29-33H,7-8H2,1H3/t13-,16-,19+,20-,21+,22-,23-,24+,25-/m1/s1
InChIKeyKDXQJCRCDRBRFU-ILFMMJCVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1-Hydroxy-3-methoxy-7-primeverosyloxyxanthone (CHEBI:185866) is a xanthones (CHEBI:51149)
IUPAC Name 
1-hydroxy-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
Manual XrefsDatabases
HMDB0030870HMDB
74854308ChemSpider