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CHEBI:70474 - (R)-(+)-6'-hydroxy-7'-methoxybergamottin

ChEBI IDCHEBI:70474
ChEBI Name(R)-(+)-6'-hydroxy-7'-methoxybergamottin
Stars
DefinitionA natural product found in Citrus hystrix.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESCOC(C)(C)[C@H](O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C22H26O6/c1-14(5-7-19(23)22(2,3)25-4)9-11-27-21-15-6-8-20(24)28-18(15)13-17-16(21)10-12-26-17/h6,8-10,12-13,19,23H,5,7,11H2,1-4H3/b14-9+/t19-/m1/s1
InChIKeyDXUCGAHPDLXISA-CECLQJIQSA-N
Species of MetaboliteComponentSourceComments
Citrus hystrix (ncbitaxon:170989) exocarp (BTO:0000733) PubMed (20964319) The hexane extract of dried and ground fruit peels
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(R)-(+)-6'-hydroxy-7'-methoxybergamottin (CHEBI:70474) has role metabolite (CHEBI:25212)
(R)-(+)-6'-hydroxy-7'-methoxybergamottin (CHEBI:70474) is a furanocoumarin (CHEBI:24128)
Synonym  Source
(+)-4-[(E,6R)-6-hydroxy-7-methoxy-3,7-dimethyl-oct-2-enoxy]furo[3,2-g]chromen-7-oneChEBI
Citations