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(Q105127949)
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English
Isolicopyranocoumarin
group of stereoisomers with the chemical formula C₂₁H₂₀O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
6C-prenylarylcoumarin
1 reference
inferred from
6C-prenylarylcoumarin
6C-substituted 3-phenylcoumarin
1 reference
inferred from
6C-substituted 3-phenylcoumarin
mass
384.12090298
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀O₇
0 references
canonical SMILES
O=C1OC=2C=C3OC(C)(C)C(O)CC3=C(OC)C2C=C1C=4C=CC(O)=CC4O
0 references
found in taxon
Glycyrrhiza uralensis
2 references
stated in
Phenolic Constituents of Liquorice. VII. A New Chalcone with a Potent Radical Scavenging Activity and Accompanying Phenolics from Liquorice.
stated in
Phenolic constituents of licorice. VIII. Structures of glicophenone and glicoisoflavanone, and effects of licorice phenolics on methicillin-resistant Staphylococcus aureus
Identifiers
InChI
InChI=1S/C21H20O7/c1-21(2)18(24)8-14-17(28-21)9-16-13(19(14)26-3)7-12(20(25)27-16)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-24H,8H2,1-3H3
0 references
InChIKey
JHGBGRLHQJNGPN-UHFFFAOYSA-N
0 references
CAS Registry Number
197303-94-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10810040
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JHGBGRLHQJNGPN-UHFFFAOYSA-N
ChEBI ID
175894
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H20O7/c1-21(2)18(24)8-14-17(28-21)9-16-13(19(14)26-3)7-12(20(25)27-16)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-24H,8H2,1-3H3
UniChem compound ID
32003359
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801108835
1 reference
matched by identifier from
InChIKey
InChIKey
JHGBGRLHQJNGPN-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0035479
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JHGBGRLHQJNGPN-UHFFFAOYSA-N
KNApSAcK ID
C00060647
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JHGBGRLHQJNGPN-UHFFFAOYSA-N
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