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CHEBI:70294 - Yungensin A

ChEBI IDCHEBI:70294
ChEBI NameYungensin A
Stars
DefinitionA natural product found in Elaphoglossum yungense.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H44O8
Net Charge0
Average Mass592.729
Monoisotopic Mass592.30362
SMILESCCCC(=O)c1c(O)c(CC2=C(O)C(C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1OC(C)(C)C=C2
InChIInChI=1S/C35H44O8/c1-9-11-25(37)27-29(39)23(28(38)22-15-16-34(6,7)43-31(22)27)18-24-30(40)26(21(5)36)33(42)35(8,32(24)41)17-14-20(4)13-10-12-19(2)3/h12,14-16,38-39,41-42H,9-11,13,17-18H2,1-8H3/b20-14+
InChIKeyYOGGZLWMZHDOQP-XSFVSMFZSA-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 A (CHEBI:70294) has role metabolite (CHEBI:25212)
Yungensin A (CHEBI:70294) is a 1-benzopyran (CHEBI:38443)
Synonym  Source
2-{[5,7-dihydroxy-2,2-dimethyl-8-butanoyl-6-chromenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-oneChEBI
Citations