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CHEBI:70331 - (+)-morelloflavone

ChEBI IDCHEBI:70331
ChEBI Name(+)-morelloflavone
Stars
DefinitionA biflavonoid found in Rheedia edulis and Garcinia livingstonei.
Last Modified12 June 2015
DownloadsMolfile
FormulaC30H20O11
Net Charge0
Average Mass556.479
Monoisotopic Mass556.10056
SMILESO=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12
InChIInChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H/t27-,29+/m1/s1
InChIKeyGFWPWSNIXRDQJC-PXJZQJOASA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Garcinia livingstonei (ncbitaxon:469932) fruit (BTO:0000486) PubMed (21028890)
Rheedia edulis (ncbitaxon:156481) exocarp (BTO:0000733) PubMed (21028890) MeOH extract of blended rind(exocarp)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(+)-morelloflavone (CHEBI:70331) has role plant metabolite (CHEBI:76924)
(+)-morelloflavone (CHEBI:70331) is a biflavonoid (CHEBI:50128)
(+)-morelloflavone (CHEBI:70331) is a hydroxyflavanone (CHEBI:24697)
(+)-morelloflavone (CHEBI:70331) is a hydroxyflavone (CHEBI:24698)
IUPAC Name 
(2R,3S)-2'-(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-[3,8'-bi-1-benzopyran]-4,4'-dione
Synonym  Source
FukugetinKNApSAcK
Manual XrefsDatabases
MorelloflavoneWikipedia
C00006435KNApSAcK
Registry NumbersSources
Reaxys:1633274Reaxys
CAS:16851-21-1ChemIDplus
Citations