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CHEBI:81056 - methyl hesperidin

ChEBI IDCHEBI:81056
ChEBI Namemethyl hesperidin
Stars
DefinitionA flavanone glycoside that is hesperidin in which the hydroxy group at position 3' has been replaced by a methoxy group.
Last Modified9 April 2018
DownloadsMolfile
FormulaC29H36O15
Net Charge0
Average Mass624.592
Monoisotopic Mass624.20542
SMILESCOc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC
InChIInChI=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
InChIKeyGUMSHIGGVOJLBP-SLRPQMTOSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
C17393KEGG COMPOUND
Registry NumbersSources
Reaxys:75254Reaxys
CAS:11013-97-1KEGG COMPOUND
CAS:11013-97-1ChemIDplus
Citations