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CHEBI:80840 - isomangiferin

ChEBI IDCHEBI:80840
ChEBI Nameisomangiferin
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7 and a 1,5-anhydro-D-glucitol moiety at position 1.
Last Modified3 October 2014
DownloadsMolfile
FormulaC19H18O11
Net Charge0
Average Mass422.342
Monoisotopic Mass422.08491
SMILESO=c1c2cc(O)c(O)cc2oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12
InChIInChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2/t11-,15-,16+,17-,19+/m1/s1
InChIKeyCDYBOKJASDEORM-HBVDJMOISA-N
Species of MetaboliteComponentSourceComments
Cyclopia subternata (ncbitaxon:155109) - PubMed (19272608)
Roles Classification
Biological Roles:
anti-HSV-1 agent  An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
isomangiferin (CHEBI:80840) has role anti-HSV-1 agent (CHEBI:64953)
isomangiferin (CHEBI:80840) has role plant metabolite (CHEBI:76924)
isomangiferin (CHEBI:80840) is a C-glycosyl compound (CHEBI:20857)
isomangiferin (CHEBI:80840) is a polyphenol (CHEBI:26195)
isomangiferin (CHEBI:80840) is a xanthones (CHEBI:51149)
IUPAC Name 
(1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-4-yl)-D-glucitol
Manual XrefsDatabases
C16979KEGG COMPOUND
C00041015KNApSAcK
US2011046077Patent
HMDB0029477HMDB
Registry NumbersSources
Reaxys:1444367Reaxys
CAS:24699-16-9KEGG COMPOUND
CAS:24699-16-9ChemIDplus
Citations