CHEBI:81056 - methyl hesperidin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl hesperidin
ChEBI ID CHEBI:81056
Definition A flavanone glycoside that is hesperidin in which the hydroxy group at position 3' has been replaced by a methoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H36O15
Net Charge 0
Average Mass 624.58710
Monoisotopic Mass 624.20542
InChI InChI=1S/C29H36O15/c1-11-22(32)24(34)26(36)28(41-11)40-10-20-23(33)25(35)27(37)29(44-20)42-13-7-14(30)21-15(31)9-17(43-19(21)8-13)12-4-5-16(38-2)18(6-12)39-3/h4-8,11,17,20,22-30,32-37H,9-10H2,1-3H3/t11-,17-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1
InChIKey GUMSHIGGVOJLBP-SLRPQMTOSA-N
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1
ChEBI Ontology
Outgoing methyl hesperidin (CHEBI:81056) has functional parent hesperidin (CHEBI:28775)
methyl hesperidin (CHEBI:81056) is a 3'-methoxyflavanones (CHEBI:140351)
methyl hesperidin (CHEBI:81056) is a 4'-methoxyflavanones (CHEBI:140332)
methyl hesperidin (CHEBI:81056) is a dimethoxyflavanone (CHEBI:38743)
methyl hesperidin (CHEBI:81056) is a disaccharide derivative (CHEBI:63353)
methyl hesperidin (CHEBI:81056) is a flavanone glycoside (CHEBI:72730)
methyl hesperidin (CHEBI:81056) is a monohydroxyflavanone (CHEBI:38748)
methyl hesperidin (CHEBI:81056) is a rutinoside (CHEBI:26587)
IUPAC Name
(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Manual Xref Database
C17393 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
11013-97-1 CAS Registry Number ChemIDplus
75254 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19326773 PubMed citation Europe PMC
5632073 PubMed citation Europe PMC
Last Modified
09 April 2018