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CHEBI:70394 - aspidinol C

ChEBI IDCHEBI:70394
ChEBI Nameaspidinol C
Stars
DefinitionA natural product found in Hypericum chinense.
Last Modified22 September 2014
DownloadsMolfile
FormulaC13H18O4
Net Charge0
Average Mass238.283
Monoisotopic Mass238.12051
SMILESCOc1cc(O)c(C(=O)CC(C)C)c(O)c1C
InChIInChI=1S/C13H18O4/c1-7(2)5-9(14)12-10(15)6-11(17-4)8(3)13(12)16/h6-7,15-16H,5H2,1-4H3
InChIKeyLFTHKHYHTUZOJP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hypericum chinense (IPNI:433315-1) leaf (BTO:0000713) PubMed (21043475) 95% EtOH extract of dried, chopped leaves
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)
aspidinol C (CHEBI:70394) has functional parent phloroglucinol (CHEBI:16204)
aspidinol C (CHEBI:70394) has role metabolite (CHEBI:25212)
aspidinol C (CHEBI:70394) is a carboxylic ester (CHEBI:33308)
Synonym  Source
1-[2,6-dihydroxy-4-methoxy-3-methylphenyl]-3'-methylbutan-1'-oneChEBI
Citations