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(Q104396041)
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English
boesenbergin A
group of stereoisomers with the chemical formula C₂₆H₂₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
3'C-substituted chalcone
1 reference
inferred from
3'C-substituted chalcone
3-chromene
1 reference
inferred from
3-chromene
mass
404.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₂₈O₄
0 references
canonical SMILES
O=C(C=CC=1C=CC=CC1)C2=C(O)C=C(OC)C=3C=CC(OC32)(C)CCC=C(C)C
0 references
isomeric SMILES
COc1cc(O)c(C(=O)/C=C/c2ccccc2)c2c1C=CC(C)(CCC=C(C)C)O2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C26H28O4/c1-18(2)9-8-15-26(3)16-14-20-23(29-4)17-22(28)24(25(20)30-26)21(27)13-12-19-10-6-5-7-11-19/h5-7,9-14,16-17,28H,8,15H2,1-4H3/b13-12+
0 references
InChIKey
CTWSWRSNFKNYMF-OUKQBFOZSA-N
0 references
PubChem CID
6313827
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CTWSWRSNFKNYMF-OUKQBFOZSA-N
UniChem compound ID
565238
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12120234
1 reference
InChIKey
CTWSWRSNFKNYMF-OUKQBFOZSA-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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