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English
β-Alectoronic acid
chemical compound
4,6-Dihydroxy-3-(6-hydroxy-1-oxo-3-pentylisochromen-8-yl)oxy-2-(2-oxoheptyl)benzoic acid
Beta Alectoronsaure
Beta-Alectoronic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
isocoumarin
0 references
mass
512.204632604
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₃₂O₉
0 references
canonical SMILES
O=C(O)C=1C(O)=CC(O)=C(OC2=CC(O)=CC=3C=C(OC(=O)C23)CCCCC)C1CC(=O)CCCCC
0 references
found in taxon
Asahinea chrysantha
1 reference
stated in
Chemical variations of asahinea chrysantha
Parmelia birulae
1 reference
stated in
Aromatic metabolites of lichens of the family Parmeliaceae. I. Depsidones
Identifiers
InChI
InChI=1S/C28H32O9/c1-3-5-7-9-17(29)13-20-25(27(33)34)21(31)15-22(32)26(20)37-23-14-18(30)11-16-12-19(10-8-6-4-2)36-28(35)24(16)23/h11-12,14-15,30-32H,3-10,13H2,1-2H3,(H,33,34)
0 references
InChIKey
BMZVKRNQSCUIKZ-UHFFFAOYSA-N
0 references
PubChem CID
163036440
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BMZVKRNQSCUIKZ-UHFFFAOYSA-N
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