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CHEBI:70475 - (R)-(+)-6',7'-dihydroxybergamottin

ChEBI IDCHEBI:70475
ChEBI Name(R)-(+)-6',7'-dihydroxybergamottin
Stars
DefinitionA natural product found in Citrus hystrix.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESC/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8+/t18-/m1/s1
InChIKeyIXZUPBUEKFXTSD-INMULRNOSA-N
Species of MetaboliteComponentSourceComments
Citrus hystrix (ncbitaxon:170989) exocarp (BTO:0000733) PubMed (20964319) The hexane and CH2Cl2 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',7'-dihydroxybergamottin (CHEBI:70475) has role metabolite (CHEBI:25212)
(R)-(+)-6',7'-dihydroxybergamottin (CHEBI:70475) is a furanocoumarin (CHEBI:24128)
Synonym  Source
(+)-4-{[(2E,6R)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-7H-furo[3,2-g]chromen-7-oneChEBI
Citations