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(Q115946967)
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English
DKLWENUPYMCFJS-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₂₂H₂₃NO₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
429.142366696
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₃NO₈
0 references
canonical SMILES
O=C(C=CC(O)C(O)C1=C(C(=O)C2(C(=O)NC(O)(C(=O)C=3C=CC=CC3)C2O)C1)C)C
0 references
found in taxon
Aspergillus fumigatus
1 reference
stated in
Metabolomics ofAspergillus fumigatus
Identifiers
InChI
InChI=1S/C22H23NO8/c1-11(24)8-9-15(25)16(26)14-10-21(17(27)12(14)2)19(29)22(31,23-20(21)30)18(28)13-6-4-3-5-7-13/h3-9,15-16,19,25-26,29,31H,10H2,1-2H3,(H,23,30)
0 references
InChIKey
DKLWENUPYMCFJS-UHFFFAOYSA-N
0 references
KNApSAcK ID
C00060051
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DKLWENUPYMCFJS-UHFFFAOYSA-N
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