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(Q104923705)
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English
8-Benzoyl-2-(1,2-dihydroxyhex-3-enyl)-8,9-dihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
group of stereoisomers with the chemical formula C₂₁H₂₃NO₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
tetramic acid
1 reference
inferred from
tetramic acid
mass
417.142366696
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₃NO₈
0 references
canonical SMILES
CCC=CC(O)C(O)C1=C(C)C(=O)C2(O1)C(=O)NC(O)(C(=O)c1ccccc1)C2O
0 references
found in taxon
Aspergillus fumigatus
1 reference
stated in
Metabolomics ofAspergillus fumigatus
Identifiers
InChI
InChI=1S/C21H23NO8/c1-3-4-10-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29,22-19(20)28)17(26)12-8-6-5-7-9-12/h4-10,13-14,18,23-24,27,29H,3H2,1-2H3,(H,22,28)
0 references
InChIKey
BCXXBFMWUYYHIF-UHFFFAOYSA-N
0 references
PubChem CID
72807449
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BCXXBFMWUYYHIF-UHFFFAOYSA-N
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