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

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ChEBI Name (R)-(+)-6',7'-dihydroxybergamottin
ChEBI ID CHEBI:70475
Definition A natural product found in Citrus hystrix.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H24O6
Net Charge 0
Average Mass 372.41170
Monoisotopic Mass 372.15729
InChI InChI=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
InChIKey IXZUPBUEKFXTSD-INMULRNOSA-N
SMILES C\C(CC[C@@H](O)C(C)(C)O)=C/COc1c2ccoc2cc2oc(=O)ccc12
Metabolite of Species Details
Citrus hystrix (NCBI:txid170989) Found in exocarp (BTO:0000733). The hexane and CH2Cl2 extract of dried and ground fruit peels See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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-one ChEBI
Citation Waiting for Citations Type Source
20964319 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:psoralens(CHEBI:26369); ISA:1-benzopyran(CHEBI:38443); ISA:benzofurans(CHEBI:35259); ISA:aliphatic alcohol(CHEBI:2571); ISA:pyranone(CHEBI:37963); ISA:aromatic ether(CHEBI:35618); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:tertiary alcohol(CHEBI:26878); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:furans(CHEBI:24129); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191);