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CHEBI:69978 - Agatharesinol acetonide

ChEBI IDCHEBI:69978
ChEBI NameAgatharesinol acetonide
Stars
DefinitionA natural product found in Metasequoia glyptostroboides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H22O4
Net Charge0
Average Mass326.392
Monoisotopic Mass326.15181
SMILES[H][C@]1([C@@H](/C=C/c2ccc(O)cc2)c2ccc(O)cc2)COC(C)(C)O1
InChIInChI=1S/C20H22O4/c1-20(2)23-13-19(24-20)18(15-6-10-17(22)11-7-15)12-5-14-3-8-16(21)9-4-14/h3-12,18-19,21-22H,13H2,1-2H3/b12-5+/t18-,19+/m0/s1
InChIKeyDGNCNVJVRJKHEP-ORFBMEDESA-N
Species of MetaboliteComponentSourceComments
Metasequoia glyptostroboides (ncbitaxon:3371)
stem (BTO:0001300) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
leaf (BTO:0000713) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
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)
Agatharesinol acetonide (CHEBI:69978) has role metabolite (CHEBI:25212)
Agatharesinol acetonide (CHEBI:69978) is a phenols (CHEBI:33853)
Citations