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(Q104974574)
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English
5-Geranoxypsoralen;Bergamottin; Bergaptin
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
furanocoumarin
0 references
mass
338.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₄
0 references
canonical SMILES
O=C1OC=2C=C3OC=CC3=C(OCC=C(C)CCC=C(C)C)C2C=C1
0 references
found in taxon
Citrus hystrix
2 references
stated in
Citrusosides A−D and Furanocoumarins with Cholinesterase Inhibitory Activity from the Fruit Peels of Citrus hystrix
stated in
Coumarins of Citrus macroptera
Citrus hassaku
1 reference
stated in
Coumarin Constituents of the Juice Oil fromCitrus hassakuand Their Spasmolytic Activity
Citrus macroptera
1 reference
stated in
Coumarins of Citrus macroptera
Feroniella lucida
1 reference
stated in
Chemical constituents from the roots of Feroniella lucida
Hansenia forbesii
1 reference
stated in
Isolation of two new coumarin glycosides from Notopterygium forbesii and evaluation of a Chinese crude drug, qiang-huo, the underground parts of N. incisum and N. forbesii, by high-performance liquid chromatography
Tetradium daniellii
2 references
stated in
Antimycobacterial activity of geranylated furocoumarins from Tetradium daniellii
stated in
Insect antifeedant furanocoumarins from Tetradium daniellii
Citrus medica
1 reference
stated in
Coumarin Constituents of the Juice Oil fromCitrus hassakuand Their Spasmolytic Activity
Identifiers
InChI
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3
0 references
InChIKey
DBMJZOMNXBSRED-UHFFFAOYSA-N
0 references
CAS Registry Number
482-46-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
119057
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
27164348
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Washington_State_Univ-BML00648
1 reference
InChIKey
DBMJZOMNXBSRED-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML00659
1 reference
InChIKey
DBMJZOMNXBSRED-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML00670
1 reference
InChIKey
DBMJZOMNXBSRED-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML80810
1 reference
InChIKey
DBMJZOMNXBSRED-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML80813
1 reference
InChIKey
DBMJZOMNXBSRED-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML80812
1 reference
InChIKey
DBMJZOMNXBSRED-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID401147277
1 reference
matched by identifier from
InChIKey
InChIKey
DBMJZOMNXBSRED-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0249086
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DBMJZOMNXBSRED-UHFFFAOYSA-N
Probes And Drugs ID
PD087699
0 references
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