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CHEBI:59016 - neohesperidin

ChEBI IDCHEBI:59016
ChEBI Nameneohesperidin
Stars
DefinitionA flavanone glycoside that is hesperitin having an 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl moiety attached to the 7-hydroxy group.
Secondary ChEBI IDCHEBI:7504
Last Modified6 April 2018
SubmitterSteve
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](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3O2)cc1O
InChIInChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChIKeyARGKVCXINMKCAZ-UZRWAPQLSA-N
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
neohesperidin (CHEBI:59016) has functional parent hesperetin (CHEBI:28230)
neohesperidin (CHEBI:59016) has role antineoplastic agent (CHEBI:35610)
neohesperidin (CHEBI:59016) has role plant metabolite (CHEBI:76924)
neohesperidin (CHEBI:59016) is a 3'-hydroxyflavanones (CHEBI:48024)
neohesperidin (CHEBI:59016) is a 4'-methoxyflavanones (CHEBI:140332)
neohesperidin (CHEBI:59016) is a dihydroxyflavanone (CHEBI:38749)
neohesperidin (CHEBI:59016) is a disaccharide derivative (CHEBI:63353)
neohesperidin (CHEBI:59016) is a flavanone glycoside (CHEBI:72730)
neohesperidin (CHEBI:59016) is a monomethoxyflavanone (CHEBI:38738)
neohesperidin (CHEBI:59016) is a neohesperidoside (CHEBI:25495)
IUPAC Name 
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside
Synonyms  Source
NeohesperidinKEGG COMPOUND
Hesperetin 7-O-neohesperidosideKEGG COMPOUND
(S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-oneChemIDplus
Manual XrefsDatabases
C09806KEGG COMPOUND
CPD-7074MetaCyc
HMDB0030748HMDB
LMPK12140452LIPID MAPS
C00000987KNApSAcK
Registry NumbersSources
Reaxys:1279600Reaxys
CAS:13241-33-3KEGG COMPOUND
CAS:13241-33-3ChemIDplus
Citations