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CHEBI:70295 - Yungensin B

ChEBI IDCHEBI:70295
ChEBI NameYungensin B
Stars
DefinitionA natural product found in Elaphoglossum yungense.
Last Modified22 September 2014
DownloadsMolfile
FormulaC37H48O8
Net Charge0
Average Mass620.783
Monoisotopic Mass620.33492
SMILESCCCCCC(=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/C37H48O8/c1-9-10-11-15-27(39)29-31(41)25(30(40)24-17-18-36(6,7)45-33(24)29)20-26-32(42)28(23(5)38)35(44)37(8,34(26)43)19-16-22(4)14-12-13-21(2)3/h13,16-18,40-41,43-44H,9-12,14-15,19-20H2,1-8H3/b22-16+
InChIKeyYYYXTPLPLGBZQD-CJLVFECKSA-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 B (CHEBI:70295) has role metabolite (CHEBI:25212)
Yungensin B (CHEBI:70295) is a 1-benzopyran (CHEBI:38443)
Synonym  Source
2-{[5,7-dihydroxy-2,2-dimethyl-8-hexanoyl-6-chromenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-oneChEBI
Citations