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CHEBI:69571 - ent-Alpinnanin A

ChEBI IDCHEBI:69571
ChEBI Nameent-Alpinnanin A
Stars
DefinitionA natural product found in Alpinia katsumadai.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H34O6
Net Charge0
Average Mass550.651
Monoisotopic Mass550.23554
SMILESCOc1cc(O)c([C@H](/C=C/C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C35H34O6/c1-41-32-23-31(39)33(35(40)34(32)30(38)22-16-25-11-6-3-7-12-25)29(26-17-20-28(37)21-18-26)14-8-13-27(36)19-15-24-9-4-2-5-10-24/h2-12,14,16-18,20-23,27,29,36-37,39-40H,13,15,19H2,1H3/b14-8+,22-16+/t27-,29-/m1/s1
InChIKeyDJTINKKXBIBDGX-TXUQEAEVSA-N
Species of MetaboliteComponentSourceComments
Alpinia katsumadai (IPNI:871977-1) seed (BTO:0001226) PubMed (21942765) Methanolic extract of seeds
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
ent-Alpinnanin A (CHEBI:69571) has role metabolite (CHEBI:25212)
ent-Alpinnanin A (CHEBI:69571) is a diarylheptanoid (CHEBI:78802)
Synonym  Source
(2E)-1-{2,4-dihydroxy-3-[(1R,2E,5S)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenyl-2-hepten-1-yl]-6-methoxyphenyl}-3-phenyl-2-propen-1-oneChEBI
Citations