CHEBI:132625 - 2'-deoxymeranzin hydrate

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ChEBI Name 2'-deoxymeranzin hydrate
ChEBI ID CHEBI:132625
Definition A member of the class of coumarins carrying methoxy and 3-hydroxy-3-methylbutyl substituents at positions 7 and 8 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C15H18O4
Net Charge 0
Average Mass 262.302
Monoisotopic Mass 262.12051
InChI InChI=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
InChIKey FYGJNTORCNKCGZ-UHFFFAOYSA-N
SMILES O1C=2C(CCC(O)(C)C)=C(OC)C=CC2C=CC1=O
Metabolite of Species Details
Cnidium monnieri (NCBI:txid94007) Found in fruit (BTO:0000486). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 hydrate SUBMITTER
Registry Number Type Source
1251894 Reaxys Registry Number Reaxys
Citation Type Source
10785419 PubMed citation Europe PMC
Last Modified
24 November 2016