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(Q104167428)
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English
pestaphthalide A
group of stereoisomers with the chemical formula C₁₁H₁₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic isobenzofuran
1 reference
inferred from
biogenic isobenzofuran
mass
224.068473484
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂O₅
0 references
canonical SMILES
O=C1OC(C2=CC(O)=C(C(O)=C12)C)C(O)C
0 references
Identifiers
InChI
InChI=1S/C11H12O5/c1-4-7(13)3-6-8(9(4)14)11(15)16-10(6)5(2)12/h3,5,10,12-14H,1-2H3
0 references
InChIKey
GRSVIXWYIHCOGF-UHFFFAOYSA-N
0 references
PubChem CID
56677454
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GRSVIXWYIHCOGF-UHFFFAOYSA-N
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