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.
Supplier Information ChemicalBook:CB8725424, eMolecules:5851863, ZINC000003978800
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Formula C27H30O14
Net Charge 0
Average Mass 578.51870
Monoisotopic Mass 578.16356
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.
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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
Manual Xrefs 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
Citations Waiting for Citations
Last Modified
18 November 2016