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CHEBI:31227 - apigenin 7-O-neohesperidoside

ChEBI IDCHEBI:31227
ChEBI Nameapigenin 7-O-neohesperidoside
Stars
ASCII Nameapigenin 7-O-neohesperidoside
DefinitionAn apigenin derivative having an α-(1→2)-L-rhamnopyranosyl)-β-D-glucopyranosyl moiety attached to the 7-hydroxy group.
Last Modified18 November 2016
DownloadsMolfile
FormulaC27H30O14
Net Charge0
Average Mass578.523
Monoisotopic Mass578.16356
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKeyRPMNUQRUHXIGHK-PYXJVEIZSA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
apigenin 7-O-neohesperidoside (CHEBI:31227) has functional parent apigenin (CHEBI:18388)
apigenin 7-O-neohesperidoside (CHEBI:31227) has role metabolite (CHEBI:25212)
apigenin 7-O-neohesperidoside (CHEBI:31227) is a dihydroxyflavone (CHEBI:38686)
apigenin 7-O-neohesperidoside (CHEBI:31227) is a glycosyloxyflavone (CHEBI:50018)
apigenin 7-O-neohesperidoside (CHEBI:31227) is a neohesperidoside (CHEBI:25495)
IUPAC Name 
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside
Synonyms  Source
Apigenin 7-O-neohesperidosideKEGG COMPOUND
RhoifolinKEGG COMPOUND
RhoifolosideKEGG COMPOUND
Apigenin-7-O-rhamnoglucosideChemIDplus
7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-oneChemIDplus
Manual XrefsDatabases
C12627KEGG COMPOUND
APIGENIN-7-O-NEOHESPERIDOSIDEMetaCyc
HMDB0038848HMDB
RhoifolinWikipedia
C00004157KNApSAcK
LSM-20984LINCS
Registry NumbersSources
Reaxys:73879Reaxys
CAS:17306-46-6KEGG DRUG
CAS:17306-46-6ChemIDplus
CAS:17306-46-6KEGG COMPOUND
Citations