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CHEBI:7502 - neoeriocitrin

ChEBI IDCHEBI:7502
ChEBI Nameneoeriocitrin
Stars
DefinitionA flavanone glycoside that is eriodictyol substituted by a 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Last Modified5 April 2018
DownloadsMolfile
FormulaC27H32O15
Net Charge0
Average Mass596.538
Monoisotopic Mass596.17412
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)c(O)c3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKeyOBKKEZLIABHSGY-DOYQYKRZSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Clinopodium chinense (ncbitaxon:516070) aerial part (BTO:0001658) PubMed (23178306)
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)
neoeriocitrin (CHEBI:7502) has functional parent eriodictyol (CHEBI:28412)
neoeriocitrin (CHEBI:7502) has role plant metabolite (CHEBI:76924)
neoeriocitrin (CHEBI:7502) is a 4'-hydroxyflavanones (CHEBI:140331)
neoeriocitrin (CHEBI:7502) is a disaccharide derivative (CHEBI:63353)
neoeriocitrin (CHEBI:7502) is a flavanone glycoside (CHEBI:72730)
neoeriocitrin (CHEBI:7502) is a neohesperidoside (CHEBI:25495)
neoeriocitrin (CHEBI:7502) is a trihydroxyflavanone (CHEBI:38739)
IUPAC Name 
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonym  Source
Eriodictyol 7-O-neohesperidosideKEGG COMPOUND
Manual XrefsDatabases
C09805KEGG COMPOUND
C00000986KNApSAcK
LMPK12140359LIPID MAPS
NeoeriocitrinWikipedia
Registry NumbersSources
Reaxys:1304378Reaxys
CAS:13241-32-2KEGG COMPOUND
CAS:13241-32-2ChemIDplus
Citations