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CHEBI:28775 - hesperidin

ChEBI IDCHEBI:28775
ChEBI Namehesperidin
Stars
DefinitionA disaccharide derivative that consists of hesperetin substituted by a 6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.
Secondary ChEBI IDsCHEBI:5682, CHEBI:24530
Last Modified19 August 2020
DownloadsMolfile
FormulaC28H34O15
Net Charge0
Average Mass610.565
Monoisotopic Mass610.18977
SMILESCOc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O
InChIInChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKeyQUQPHWDTPGMPEX-QJBIFVCTSA-N
Wikipedia
Roles Classification
Biological Role:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
ChEBI Ontology
Outgoing Relation(s)
hesperidin (CHEBI:28775) has functional parent hesperetin (CHEBI:28230)
hesperidin (CHEBI:28775) has role mutagen (CHEBI:25435)
hesperidin (CHEBI:28775) is a 3'-hydroxyflavanones (CHEBI:48024)
hesperidin (CHEBI:28775) is a 4'-methoxyflavanones (CHEBI:140332)
hesperidin (CHEBI:28775) is a dihydroxyflavanone (CHEBI:38749)
hesperidin (CHEBI:28775) is a disaccharide derivative (CHEBI:63353)
hesperidin (CHEBI:28775) is a flavanone glycoside (CHEBI:72730)
hesperidin (CHEBI:28775) is a monomethoxyflavanone (CHEBI:38738)
hesperidin (CHEBI:28775) is a rutinoside (CHEBI:26587)
Incoming Relation(s)
methyl hesperidin (CHEBI:81056) has functional parent hesperidin (CHEBI:28775)
IUPAC Name 
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonyms  Source
HesperidinKEGG COMPOUND
Hesperetin 7-O-rutinosideKEGG COMPOUND
CiratinKEGG COMPOUND
CirantinChemIDplus
HesperidosideChemIDplus
(S)-(−)-hesperidinChemIDplus
UniProt Name  Source
(2S)-hesperidinUniProt
Manual XrefsDatabases
C09755KEGG COMPOUND
DB04703DrugBank
CPD-7075MetaCyc
HesperidinWikipedia
HMDB0003265HMDB
D01038KEGG DRUG
C00000970KNApSAcK
LSM-2858LINCS
Registry NumbersSources
Reaxys:75140Reaxys
CAS:520-26-3KEGG COMPOUND
CAS:520-26-3ChemIDplus