CHEBI:70298 - Yungensin E

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ChEBI Name Yungensin E
ChEBI ID CHEBI:70298
Definition A natural product found in Elaphoglossum yungense.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C40H54O8
Net Charge 0
Average Mass 662.85200
Monoisotopic Mass 662.38187
InChI InChI=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+
InChIKey YSQMAFQGVXTTLL-ICRKYIHISA-N
SMILES CCCC(=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
Metabolite of Species Details
Elaphoglossum yungense (NCBI:txid551654) Found in root (BTO:0001188). Et2O extract of air-dried and ground scaly rhizomes and roots See: PubMed
Elaphoglossum yungense (NCBI:txid551654) Found in rhizome (BTO:0001181). Et2O extract of air-dried and ground scaly rhizomes and roots 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 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-one ChEBI
Citation Waiting for Citations Type Source
21043474 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:butanone(CHEBI:22951); ISA:monoterpenoid(CHEBI:25409); ISA:acetophenones(CHEBI:22187); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:cyclic ketone(CHEBI:3992); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);