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CHEBI:69573 - ent-Calyxin H

ChEBI IDCHEBI:69573
ChEBI Nameent-Calyxin H
Stars
DefinitionA natural product found in Alpinia katsumadai.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H34O7
Net Charge0
Average Mass566.650
Monoisotopic Mass566.23045
SMILESCOc1cc(O)c([C@H](/C=C/C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C35H34O7/c1-42-32-22-31(40)33(35(41)34(32)30(39)21-13-24-11-17-27(37)18-12-24)29(25-14-19-28(38)20-15-25)9-5-8-26(36)16-10-23-6-3-2-4-7-23/h2-7,9,11-15,17-22,26,29,36-38,40-41H,8,10,16H2,1H3/b9-5+,21-13+/t26-,29+/m0/s1
InChIKeyVIHJUBYCOAJPQW-CJIDPTHHSA-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-Calyxin H (CHEBI:69573) has role metabolite (CHEBI:25212)
ent-Calyxin H (CHEBI:69573) is a diarylheptanoid (CHEBI:78802)
Synonym  Source
(2E)-1-{2,4-dihydroxy-3-[(1R,2E,5R)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenyl-2-hepten-1-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)-2-propen-1-oneChEBI
Citations