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CHEBI:68098 - 14-deoxyxyloccensin K

ChEBI IDCHEBI:68098
ChEBI Name14-deoxyxyloccensin K
Stars
DefinitionA natural product found in Chisocheton ceramicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H34O7
Net Charge0
Average Mass470.562
Monoisotopic Mass470.23045
SMILES[H][C@]12CC[C@]3(C)C(CC(=O)O[C@@H]3c3ccoc3)[C@]13C[C@]1([H])C(=O)[C@@]2(C)[C@@H](CC(=O)OC)C(C)(C)[C@]1([H])O3
InChIInChI=1S/C27H34O7/c1-24(2)17(10-19(28)31-5)26(4)16-6-8-25(3)18(27(16)12-15(21(26)30)23(24)34-27)11-20(29)33-22(25)14-7-9-32-13-14/h7,9,13,15-18,22-23H,6,8,10-12H2,1-5H3/t15-,16-,17+,18?,22-,23-,25-,26-,27+/m1/s1
InChIKeyMHWKYWFNOIHYQM-BUMGVENXSA-N
Species of MetaboliteComponentSourceComments
Chisocheton ceramicus (ncbitaxon:155624) bark (BTO:0001301) PubMed (21428417) Methanolic extract of dried and powdered bark
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)
14-deoxyxyloccensin K (CHEBI:68098) has role metabolite (CHEBI:25212)
14-deoxyxyloccensin K (CHEBI:68098) is a limonoid (CHEBI:39434)
Synonym  Source
Methyl [(1S,2R,5R,6S,11R,13S,14R,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.1(11,14).0(2,11).0(5,10)]octadec-16-yl]acetateChEBI
Citations