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CHEBI:70298 - Yungensin E

ChEBI IDCHEBI:70298
ChEBI NameYungensin E
Stars
DefinitionA natural product found in Elaphoglossum yungense.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H54O8
Net Charge0
Average Mass662.864
Monoisotopic Mass662.38187
SMILESCCCC(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(CC2=C(O)C(C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c1O
InChIInChI=1S/C40H54O8/c1-10-13-31(42)33-35(44)28(19-18-25(6)16-11-14-23(2)3)34(43)29(36(33)45)22-30-37(46)32(27(8)41)39(48)40(9,38(30)47)21-20-26(7)17-12-15-24(4)5/h14-15,18,20,43-45,47-48H,10-13,16-17,19,21-22H2,1-9H3/b25-18+,26-20+
InChIKeyYSQMAFQGVXTTLL-ICRKYIHISA-N
Species of MetaboliteComponentSourceComments
Elaphoglossum yungense (ncbitaxon:551654)
root (BTO:0001188) PubMed (21043474) Et2O extract of air-dried and ground scaly rhizomes and roots
rhizome (BTO:0001181) PubMed (21043474) Et2O extract of air-dried and ground scaly rhizomes and roots
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)
Yungensin E (CHEBI:70298) has functional parent phloroglucinol (CHEBI:16204)
Yungensin E (CHEBI:70298) has role metabolite (CHEBI:25212)
Yungensin E (CHEBI:70298) is a carboxylic ester (CHEBI:33308)
Synonym  Source
2-{[2,4,6-trihydroxy-5-(3,7-dimethyl-2,6-octadienyl)-3-butanoylphenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-oneChEBI
Citations