CHEBI:31227 - apigenin 7-O-neohesperidoside

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ChEBI Name apigenin 7-O-neohesperidoside
ChEBI ID CHEBI:31227
ChEBI ASCII Name apigenin 7-O-neohesperidoside
Definition An apigenin derivative having an α-(1→2)-L-rhamnopyranosyl)-β-D-glucopyranosyl moiety attached to the 7-hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H30O14
Net Charge 0
Average Mass 578.51870
Monoisotopic Mass 578.164
InChI InChI=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
InChIKey RPMNUQRUHXIGHK-PYXJVEIZSA-N
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one ChemIDplus
Apigenin 7-O-neohesperidoside KEGG COMPOUND
Apigenin-7-O-rhamnoglucoside ChemIDplus
Rhoifolin KEGG COMPOUND
Rhoifoloside KEGG COMPOUND
Database Links Databases
APIGENIN-7-O-NEOHESPERIDOSIDE MetaCyc
C00004157 KNApSAcK
C12627 KEGG COMPOUND
HMDB0038848 HMDB
LSM-20984 LINCS
Rhoifolin Wikipedia
View more database links
Registry Numbers Types Sources
17306-46-6 CAS Registry Number ChemIDplus
17306-46-6 CAS Registry Number KEGG DRUG
73879 Reaxys Registry Number Reaxys
73879 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
15631081 PubMed citation Europe PMC
15974126 PubMed citation Europe PMC
19771866 PubMed citation Europe PMC
20222420 PubMed citation Europe PMC
Last Modified
18 November 2016