CHEBI:70295 - Yungensin B

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ChEBI Name Yungensin B
ChEBI ID CHEBI:70295
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 C37H48O8
Net Charge 0
Average Mass 620.77220
Monoisotopic Mass 620.33492
InChI InChI=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+
InChIKey YYYXTPLPLGBZQD-CJLVFECKSA-N
SMILES CCCCCC(=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)c2C=CC(C)(C)Oc12
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 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-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:resorcinols(CHEBI:33572); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:polyol(CHEBI:26191); ISA:cyclic ketone(CHEBI:3992); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);