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> Main
CHEBI:69830 - oxypeucedanin
Main
ChEBI Ontology
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ChEBI Name
oxypeucedanin
ChEBI ID
CHEBI:69830
Definition
A furanocoumarin that is 7
H
-furo[3,2-
g
][1]benzopyran-7-one substituted by a [(2
S
)-3,3-dimethyloxiran-2-yl]methoxy group at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:7867
Supplier Information
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Formula
C16H14O5
Net Charge
0
Average Mass
286.27940
Monoisotopic Mass
286.08412
InChI
InChI=1S/C16H14O5/c1-
16(2)
13(21-
16)
8-
19-
15-
9-
3-
4-
14(17)
20-
12(9)
7-
11-
10(15)
5-
6-
18-
11/h3-
7,13H,8H2,1-
2H3/t13-
/m0/s1
InChIKey
QTAGQHZOLRFCBU-ZDUSSCGKSA-N
SMILES
CC1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12
Metabolite of Species
Details
Peucedanum ostruthium
(NCBI:txid1000424)
Found in root
(BTO:0001188)
. Dichloromethane extract of dried, powdered roots and rhizomes See:
PubMed
Peucedanum ostruthium
(NCBI:txid1000424)
Found in rhizome
(BTO:0001181)
. Dichloromethane extract of dried, powdered roots and rhizomes 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
oxypeucedanin (
CHEBI:69830
)
has role
plant metabolite (
CHEBI:76924
)
oxypeucedanin (
CHEBI:69830
)
is a
epoxide (
CHEBI:32955
)
oxypeucedanin (
CHEBI:69830
)
is a
furanocoumarin (
CHEBI:24128
)
oxypeucedanin (
CHEBI:69830
)
is a
lactone (
CHEBI:25000
)
IUPAC Name
4-{[(2
S
)-3,3-dimethyloxiran-2-yl]methoxy}-7
H
-furo[3,2-
g
][1]benzopyran-7-one
Manual Xrefs
Databases
C00002490
KNApSAcK
C09282
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
26091-73-6
CAS Registry Number
KEGG COMPOUND
26091-73-6
CAS Registry Number
ChemIDplus
8561323
Reaxys Registry Number
Reaxys
Citation
Type
Source
21627108
PubMed citation
Europe PMC
Last Modified
12 May 2015