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
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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 Waiting for Citations Type Source
10785419 PubMed citation Europe PMC
Last Modified
24 November 2016