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(Q82962736)
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English
3-Butyl-4,5-dihydro-2-benzofuran-1(3H)-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
192.115029752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₂
0 references
canonical SMILES
O=C1OC(C2=C1C=CCC2)CCCC
0 references
found in taxon
Angelica acutiloba
2 references
stated in
Identification and comparative determination of senkyunolide A in traditional Chinese medicinal plants Ligusticum chuanxiong and Angelica sinensis by HPLC coupled with DAD and ESI-MS.
stated in
Identification and quantification of 13 components in Angelica sinensis (Danggui) by gas chromatography–mass spectrometry coupled with pressurized liquid extraction
Conioselinum smithii
2 references
stated in
Identification and comparative determination of senkyunolide A in traditional Chinese medicinal plants Ligusticum chuanxiong and Angelica sinensis by HPLC coupled with DAD and ESI-MS.
stated in
Post-harvest alteration of the main chemical ingredients in Ligusticum chuanxiong Hort. (Rhizoma Chuanxiong)
Angelica gigas
2 references
stated in
Identification and comparative determination of senkyunolide A in traditional Chinese medicinal plants Ligusticum chuanxiong and Angelica sinensis by HPLC coupled with DAD and ESI-MS.
stated in
Identification and quantification of 13 components in Angelica sinensis (Danggui) by gas chromatography–mass spectrometry coupled with pressurized liquid extraction
Conioselinum tenuissimum
2 references
stated in
Identification and comparative determination of senkyunolide A in traditional Chinese medicinal plants Ligusticum chuanxiong and Angelica sinensis by HPLC coupled with DAD and ESI-MS.
stated in
Post-harvest alteration of the main chemical ingredients in Ligusticum chuanxiong Hort. (Rhizoma Chuanxiong)
Angelica sinensis
1 reference
stated in
Identification and quantification of 13 components in Angelica sinensis (Danggui) by gas chromatography–mass spectrometry coupled with pressurized liquid extraction
Levisticum officinale
2 references
stated in
Post-harvest alteration of the main chemical ingredients in Ligusticum chuanxiong Hort. (Rhizoma Chuanxiong)
stated in
Identification and comparative determination of senkyunolide A in traditional Chinese medicinal plants Ligusticum chuanxiong and Angelica sinensis by HPLC coupled with DAD and ESI-MS.
celery
2 references
stated in
Mosquitocidal, nematicidal, and antifungal compounds from Apium graveolens L. seeds
stated in
Volatile aroma constituents of celery
Apiaceae
3 references
stated in
Studies on the baths with crude drug: the effects of Senkyu extract as skin penetration enhancer
stated in
[Centrally acting muscle relaxant effect of phthalides (ligustilide, cnidilide and senkyunolide) obtained from Cnidium officinale Makino]
stated in
[Studies on chemical protectors against radiation. XXX. Radioprotective substances of cnidii rhizoma]
Identifiers
InChI
InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3
0 references
InChIKey
ZPIKVDODKLJKIN-UHFFFAOYSA-N
0 references
CAS Registry Number
62006-39-7
0 references
PubChem CID
173843
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZPIKVDODKLJKIN-UHFFFAOYSA-N
UniChem compound ID
32591162
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40977545
1 reference
matched by identifier from
InChIKey
InChIKey
ZPIKVDODKLJKIN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70221866
0 references
Human Metabolome Database ID
HMDB0258235
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZPIKVDODKLJKIN-UHFFFAOYSA-N
Probes And Drugs ID
PD087595
0 references
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