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(Q63409650)
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English
4',5-Bisdeoxy-dothistromin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,4,18-Trihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14(19),15,17-hexaene-13,20-dione
1 reference
based on heuristic
inferred from SMILES
mass
340.058302724
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₂O₇
0 references
canonical SMILES
O=C1C=2C=CC=C(O)C2C(=O)C3=C(O)C4=C(OC5OCCC45O)C=C13
0 references
isomeric SMILES
C1CO[C@H]2[C@@]1(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5O)O
0 references
found in taxon
Cercospora arachidicola
1 reference
stated in
Minor anthraquinonoid metabolites of Cercosporaarachidicola
Identifiers
InChI
InChI=1S/C18H12O7/c19-9-3-1-2-7-11(9)15(21)12-8(14(7)20)6-10-13(16(12)22)18(23)4-5-24-17(18)25-10/h1-3,6,17,19,22-23H,4-5H2/t17-,18-/m1/s1
0 references
InChIKey
MFMARNFPIVNIHS-QZTJIDSGSA-N
0 references
PubChem CID
137628450
1 reference
matched by identifier from
InChIKey
InChIKey
MFMARNFPIVNIHS-QZTJIDSGSA-N
UniChem compound ID
153213552
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-AAFC-AC000921
0 references
MSBNK-AAFC-AC000922
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MSBNK-AAFC-AC000923
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MSBNK-AAFC-AC000924
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MSBNK-AAFC-AC000925
0 references
DSSTox substance ID
DTXSID20894049
1 reference
matched by identifier from
InChIKey
InChIKey
MFMARNFPIVNIHS-QZTJIDSGSA-N
DSSTOX compound identifier
DTXCID701324092
0 references
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