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

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ChEBI Name (R)-(+)-6'-hydroxy-7'-methoxybergamottin
ChEBI ID CHEBI:70474
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 C22H26O6
Net Charge 0
Average Mass 386.43820
Monoisotopic Mass 386.17294
InChI InChI=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
InChIKey DXUCGAHPDLXISA-CECLQJIQSA-N
SMILES COC(C)(C)[C@H](O)CC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12
Metabolite of Species Details
Citrus hystrix (NCBI:txid170989) Found in exocarp (BTO:0000733). The hexane 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'-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-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:aliphatic alcohol(CHEBI:2571); ISA:benzofurans(CHEBI:35259); ISA:pyranone(CHEBI:37963); ISA:aromatic ether(CHEBI:35618); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:furans(CHEBI:24129); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698);