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(Q81987562)
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Alternaric acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-hydroxy-2-(1-hydroxy-2-methylbutyl)-9-(4-hydroxy-6-methyl-2-oxo-5,6-dihydropyran-3-yl)-6-methylidene-9-oxonon-3-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
410.19406792
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₈
0 references
canonical SMILES
O=C1OC(C)CC(O)=C1C(=O)CCC(=C)CC=CC(O)(C(=O)O)C(O)C(C)CC
0 references
isomeric SMILES
C=C(C/C=C/[C@@](O)(C(=O)O)[C@H](O)[C@@H](C)CC)CCC(=O)C1=C(O)C[C@@H](C)OC1=O
0 references
found in taxon
Alternaria
1 reference
stated in
Cytotoxic metabolites from the fungal endophyte Alternaria sp. and their subsequent detection in its host plant Polygonum senegalense
Identifiers
InChI
InChI=1S/C21H30O8/c1-5-13(3)18(24)21(28,20(26)27)10-6-7-12(2)8-9-15(22)17-16(23)11-14(4)29-19(17)25/h6,10,13-14,18,23-24,28H,2,5,7-9,11H2,1,3-4H3,(H,26,27)/b10-6+/t13-,14+,18+,21-/m0/s1
0 references
InChIKey
KMEVEPGHUURWPL-KBUHGEJUSA-N
0 references
CAS Registry Number
10088-62-7
0 references
DSSTox substance ID
DTXSID80891852
1 reference
matched by identifier from
InChIKey
InChIKey
KMEVEPGHUURWPL-KBUHGEJUSA-N
DSSTOX compound identifier
DTXCID701031273
0 references
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