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> Main
CHEBI:132626 - columbianetin acetate
Main
ChEBI Ontology
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ChEBI Name
columbianetin acetate
ChEBI ID
CHEBI:132626
Definition
An acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8
S
)-2-oxo-8,9-dihydro-2
H
-furo[2,3-
h
][1]benzopyran-8-yl]propan-2-ol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C16H16O5
Net Charge
0
Average Mass
288.296
Monoisotopic Mass
288.09977
InChI
InChI=1S/C16H16O5/c1-
9(17)
21-
16(2,3)
13-
8-
11-
12(19-
13)
6-
4-
10-
5-
7-
14(18)
20-
15(10)
11/h4-
7,13H,8H2,1-
3H3/t13-
/m0/s1
InChIKey
IQTTZQQJJBEAIM-ZDUSSCGKSA-N
SMILES
O1[C@](CC2=C1C=CC3=C2OC(=O)C=C3)([H])C(OC(=O)C)(C)C
Metabolite of Species
Details
Rattus norvegicus
(NCBI:txid10116)
See:
PubMed
Angelica pubescens
(NCBI:txid312530)
Found in root
(BTO:0001188)
. See:
PubMed
Angelica biserrata
(NCBI:txid357970)
Found in root
(BTO:0001188)
. 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
columbianetin acetate (
CHEBI:132626
)
has role
plant metabolite (
CHEBI:76924
)
columbianetin acetate (
CHEBI:132626
)
is a
acetate ester (
CHEBI:47622
)
columbianetin acetate (
CHEBI:132626
)
is a
furanocoumarin (
CHEBI:24128
)
IUPAC Name
2-[(8
S
)-2-oxo-8,9-dihydro-2
H
-furo[2,3-
h
][1]benzopyran-8-yl]propan-2-yl acetate
Synonyms
Sources
(8
S
)-columbianetin acetate
ChEBI
(8
S
)-
O
-acetylcolumbianetin
ChEBI
O-Acetylcolumbianetin
ChemIDplus
Manual Xref
Database
C00035183
KNApSAcK
View more database links
Registry Numbers
Types
Sources
23180-65-6
CAS Registry Number
ChemIDplus
29562
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12205901
PubMed citation
Europe PMC
1823724
PubMed citation
Europe PMC
18357742
PubMed citation
Europe PMC
18405608
PubMed citation
Europe PMC
19608371
PubMed citation
Europe PMC
21147202
PubMed citation
Europe PMC
23384552
PubMed citation
Europe PMC
26121397
PubMed citation
Europe PMC
2618698
PubMed citation
Europe PMC
341485
Chinese Abstracts citation
Europe PMC
7700984
PubMed citation
Europe PMC
8981074
PubMed citation
Europe PMC
Last Modified
24 November 2016