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CHEBI:8222 - pinocembrin 7-rhamnosylglucoside

ChEBI IDCHEBI:8222
ChEBI Namepinocembrin 7-rhamnosylglucoside
Stars
DefinitionA flavanone glycoside that is pinocembrin attached to a 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Last Modified9 April 2018
DownloadsMolfile
FormulaC27H32O13
Net Charge0
Average Mass564.540
Monoisotopic Mass564.18429
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccccc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H32O13/c1-11-20(31)22(33)24(35)26(36-11)40-25-23(34)21(32)18(10-28)39-27(25)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-29,31-35H,9-10H2,1H3/t11-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKeyUVPBNPUZWAOBQX-AFUJZTQMSA-N
Species of MetaboliteComponentSourceComments
Litchi chinensis (ncbitaxon:151069) seed (BTO:0001226) PubMed (21287989)
Sparattosperma leucanthum (ncbitaxon:429671) leaf (BTO:0000713) PubMed (21831384)
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)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) has functional parent pinocembrin (CHEBI:28157)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) has role plant metabolite (CHEBI:76924)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) is a (2S)-flavan-4-one (CHEBI:140377)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) is a disaccharide derivative (CHEBI:63353)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) is a flavanone glycoside (CHEBI:72730)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) is a monohydroxyflavanone (CHEBI:38748)
pinocembrin 7-rhamnosylglucoside (CHEBI:8222) is a neohesperidoside (CHEBI:25495)
IUPAC Name 
(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonym  Source
Pinocembrin 7-O-neohesperidosideKNApSAcK
Manual XrefsDatabases
C09828KEGG COMPOUND
C00000993KNApSAcK
LMPK12140136LIPID MAPS
Registry NumbersSources
Reaxys:73145Reaxys
CAS:13241-31-1KEGG COMPOUND
Citations