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(Q105346637)
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English
2-(14-Carboxytetradecyl)-4-methyl-5-oxooxolane-3-carboxylic acid
group of stereoisomers with the chemical formula C₂₁H₃₆O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
384.251188872
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₆O₆
0 references
canonical SMILES
O=C(O)CCCCCCCCCCCCCCC1OC(=O)C(C)C1C(=O)O
0 references
found in taxon
Dolichousnea longissima
1 reference
stated in
Comprehensive Analysis of Secondary Metabolites in Usnea longissima (Lichenized Ascomycetes, Parmeliaceae) Using UPLC-ESI-QTOF-MS/MS and Pro-Apoptotic Activity of Barbatic Acid
Identifiers
InChI
InChI=1S/C21H36O6/c1-16-19(20(24)25)17(27-21(16)26)14-12-10-8-6-4-2-3-5-7-9-11-13-15-18(22)23/h16-17,19H,2-15H2,1H3,(H,22,23)(H,24,25)
0 references
InChIKey
YDCKBIDKMHFWKY-UHFFFAOYSA-N
0 references
PubChem CID
146682620
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YDCKBIDKMHFWKY-UHFFFAOYSA-N
ChEBI ID
206051
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H36O6/c1-16-19(20(24)25)17(27-21(16)26)14-12-10-8-6-4-2-3-5-7-9-11-13-15-18(22)23/h16-17,19H,2-15H2,1H3,(H,22,23)(H,24,25)
UniChem compound ID
178085988
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA026157
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YDCKBIDKMHFWKY-UHFFFAOYSA-N
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