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CHEBI:132856 - viscumneoside I

ChEBI IDCHEBI:132856
ChEBI Nameviscumneoside I
Stars
DefinitionA viscumneoside that is homoeriodictyol in which the hydroxy groups at the 7 and 4' positions have been converted to the corresponding β-D-glucopyranoside and β-D-apiofuranoside derivatives, respectively. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves are used in traditional Chinese medicine for the treatment of rheumatism.
Last Modified11 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC27H32O15
Net Charge0
Average Mass596.538
Monoisotopic Mass596.17412
SMILES[H][C@]1(O)[C@H](Oc2ccc([C@@H]3CC(=O)c4c(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4O3)cc2OC)OC[C@]1(O)CO
InChIInChI=1S/C27H32O15/c1-37-17-4-11(2-3-15(17)41-26-24(35)27(36,9-29)10-38-26)16-7-14(31)20-13(30)5-12(6-18(20)40-16)39-25-23(34)22(33)21(32)19(8-28)42-25/h2-6,16,19,21-26,28-30,32-36H,7-10H2,1H3/t16-,19+,21+,22-,23+,24-,25+,26-,27+/m0/s1
InChIKeyHGMGIRJXPKZTBP-XJBIVIJWSA-N
Species of MetaboliteComponentSourceComments
Viscum coloratum (ncbitaxon:159976) aerial part (BTO:0001658) PubMed (21922656) From stems & leaves
Roles Classification
Biological Role:
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)
viscumneoside I (CHEBI:132856) has functional parent homoeriodictyol (CHEBI:74960)
viscumneoside I (CHEBI:132856) has functional parent β-D-apiose (CHEBI:27672)
viscumneoside I (CHEBI:132856) has role plant metabolite (CHEBI:76924)
viscumneoside I (CHEBI:132856) is a flavanone glycoside (CHEBI:72730)
viscumneoside I (CHEBI:132856) is a viscumneoside (CHEBI:133718)
viscumneoside I (CHEBI:132856) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(2S)-2-(4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside
Synonym  Source
homoeriodictyol-7-O-β-D-glucopyranoside-4'-O-β-D-apiofuranosideChEBI
Manual XrefsDatabases
C00008440KNApSAcK
LMPK12140581LIPID MAPS
Registry NumbersSources
Reaxys:15816678Reaxys
Citations