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English
Myrigalone A
group of stereoisomers with the chemical formula C₁₈H₂₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
300.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₀O₄
0 references
canonical SMILES
O=C(CCC=1C=CC=CC1)C2C(=O)C(C(=O)C(C2=O)(C)C)C
0 references
found in taxon
Myrica gale
2 references
stated in
C-methylated dihydrochalcones from Myrica gale L: effects as antioxidants and as scavengers of 1,1-diphenyl-2-picrylhydrazyl
stated in
Antioxidant activity of fruit exudate and C-methylated dihydrochalcones from Myrica gale
Identifiers
InChI
InChI=1S/C18H20O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
0 references
InChIKey
CTSXBYQFSBUGKB-UHFFFAOYSA-N
0 references
CAS Registry Number
34328-57-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
11722329
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CTSXBYQFSBUGKB-UHFFFAOYSA-N
ChEBI ID
174873
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H20O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
UniChem compound ID
30631364
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201171452
1 reference
matched by identifier from
InChIKey
InChIKey
CTSXBYQFSBUGKB-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0037245
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CTSXBYQFSBUGKB-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12120594
1 reference
InChIKey
CTSXBYQFSBUGKB-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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