CHEBI:7502 - neoeriocitrin

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ChEBI Name neoeriocitrin
ChEBI ID CHEBI:7502
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H32O15
Net Charge 0
Average Mass 596.53400
Monoisotopic Mass 596.17412
InChI InChI=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
InChIKey OBKKEZLIABHSGY-DOYQYKRZSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Clinopodium chinense (NCBI:txid516070) Found in aerial part (BTO:0001658). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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-neohesperidoside KEGG COMPOUND
Manual Xrefs Databases
C00000986 KNApSAcK
C09805 KEGG COMPOUND
LMPK12140359 LIPID MAPS
Neoeriocitrin Wikipedia
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Registry Numbers Types Sources
1304378 Reaxys Registry Number Reaxys
13241-32-2 CAS Registry Number KEGG COMPOUND
13241-32-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23178306 PubMed citation Europe PMC
25798688 PubMed citation Europe PMC
Last Modified
05 April 2018