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(Q104170689)
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English
Pestacin
group of stereoisomers with the chemical formula C₁₅H₁₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic isobenzofuran
1 reference
inferred from
biogenic isobenzofuran
mass
258.089208928
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₄O₄
0 references
canonical SMILES
OC1=CC=CC(O)=C1C2OCC3=CC(=CC(O)=C32)C
0 references
Identifiers
InChI
InChI=1S/C15H14O4/c1-8-5-9-7-19-15(13(9)12(18)6-8)14-10(16)3-2-4-11(14)17/h2-6,15-18H,7H2,1H3
0 references
InChIKey
KXVCRSXYCVASDF-UHFFFAOYSA-N
0 references
PubChem CID
9965029
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KXVCRSXYCVASDF-UHFFFAOYSA-N
UniChem compound ID
34034841
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA019009
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXVCRSXYCVASDF-UHFFFAOYSA-N
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