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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-2
H
-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