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CHEBI:67672 - Xerophilusin B

ChEBI IDCHEBI:67672
ChEBI NameXerophilusin B
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILES[H][C@@]12CC[C@]3([H])C(=C)C(=O)[C@]14[C@H]3OC1O[C@]4(O)[C@@H](O)[C@]3([H])C(C)(C)CCC[C@@]123
InChIInChI=1S/C20H26O5/c1-9-10-5-6-11-18-8-4-7-17(2,3)12(18)14(22)20(23)19(11,13(9)21)15(10)24-16(18)25-20/h10-12,14-16,22-23H,1,4-8H2,2-3H3/t10-,11+,12-,14+,15+,16?,18-,19+,20-/m1/s1
InChIKeyZKUQCTVJZQFAKY-BHYGTAQFSA-N
Species of MetaboliteComponentSourceComments
Isodon adenolomus (ncbitaxon:662903) aerial part (BTO:0001658) PubMed (21534539) 70% aqueous acetone extract of air-dried and powdered aerial parts
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)
Xerophilusin B (CHEBI:67672) has role metabolite (CHEBI:25212)
Xerophilusin B (CHEBI:67672) is a dioxanes (CHEBI:46926)
Citations