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CHEBI:132625 - 2'-deoxymeranzin hydrate

ChEBI IDCHEBI:132625
ChEBI Name2'-deoxymeranzin hydrate
Stars
DefinitionA member of the class of coumarins carrying methoxy and 3-hydroxy-3-methylbutyl substituents at positions 7 and 8 respectively.
Last Modified24 November 2016
Submitterliuqingping
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESCOc1ccc2ccc(=O)oc2c1CCC(C)(C)O
InChIInChI=1S/C15H18O4/c1-15(2,17)9-8-11-12(18-3)6-4-10-5-7-13(16)19-14(10)11/h4-7,17H,8-9H2,1-3H3
InChIKeyFYGJNTORCNKCGZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cnidium monnieri (ncbitaxon:94007) fruit (BTO:0000486) PubMed (10785419)
Roles Classification
Biological Role:
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)
2'-deoxymeranzin hydrate (CHEBI:132625) has role plant metabolite (CHEBI:76924)
2'-deoxymeranzin hydrate (CHEBI:132625) is a aromatic ether (CHEBI:35618)
2'-deoxymeranzin hydrate (CHEBI:132625) is a coumarins (CHEBI:23403)
2'-deoxymeranzin hydrate (CHEBI:132625) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
8-(3-hydroxy-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one
Synonym  Source
2-deoxymeranzin hydrateSUBMITTER
Registry NumbersSources
Reaxys:1251894Reaxys
Citations