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CHEBI:9369 - swertiajaponin

ChEBI IDCHEBI:9369
ChEBI Nameswertiajaponin
Stars
DefinitionA flavone C-glycoside that is isoorientin in which the hydroxy group at position 7 is replaced by a methoxy group.
Last Modified2 June 2015
DownloadsMolfile
FormulaC22H24O11
Net Charge0
Average Mass464.423
Monoisotopic Mass464.13186
SMILESCOC1=CC2OC(c3ccc(O)c(O)c3)=CC(=O)C2C(O)=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H24O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,14-16,18,20-25,27-30H,7H2,1H3/t14?,15-,16?,18-,20+,21-,22+/m1/s1
InChIKeyUMWNGGYPGAHOPP-IBKWXVHQSA-N
Species of MetaboliteComponentSourceComments
Cymbopogon citratus (ncbitaxon:66014) - PubMed (19924037)
Swertia japonica (ncbitaxon:137129) - PubMed (5583807)
Zantedeschia aethiopica (ncbitaxon:69721) - PubMed (25924520)
ChEBI Ontology
Outgoing Relation(s)
swertiajaponin (CHEBI:9369) has functional parent isoorientin (CHEBI:17965)
swertiajaponin (CHEBI:9369) is a flavone C-glycoside (CHEBI:83280)
swertiajaponin (CHEBI:9369) is a monomethoxyflavone (CHEBI:25401)
swertiajaponin (CHEBI:9369) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4a,8a-dihydro-4H-1-benzopyran-6-yl]-D-glucitol
Synonyms  Source
7-O-methylisoorientinChEBI
6-C-β-D-glucopyranosyl-7-O-methylluteolinChEBI
LeucanthosideLIPID MAPS
Manual XrefsDatabases
C10187KEGG COMPOUND
C00001102KNApSAcK
LMPK12111030LIPID MAPS
HMDB0030569HMDB
Registry NumbersSources
Reaxys:1360155Reaxys
CAS:6980-25-2KEGG COMPOUND
CAS:6980-25-2ChemIDplus
Citations