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(Q105212736)
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English
CID 57509309
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
xanthones
1 reference
based on heuristic
inferred from SMILES
mass
372.040065816
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Austocystin A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₁₃ClO₆
0 references
canonical SMILES
O=C1C=2C(OC=3C=C4OC5OC=CC5C4=C(OC)C13)=CC=C(Cl)C2OC
0 references
isomeric SMILES
COc1c(Cl)ccc2oc3cc4c(c(OC)c3c(=O)c12)[C@H]1C=CO[C@H]1O4
0 references
found in taxon
Aspergillus ustus
1 reference
stated in
Constitution and absolute configuration of austdiol, the main toxic metabolite from Aspergillus ustus
Identifiers
InChI
InChI=1S/C19H13ClO6/c1-22-17-9(20)3-4-10-14(17)16(21)15-12(25-10)7-11-13(18(15)23-2)8-5-6-24-19(8)26-11/h3-8,19H,1-2H3/t8-,19+/m1/s1
0 references
InChIKey
POXKBPUNCDMQMW-YLVJLNSGSA-N
0 references
PubChem CID
57509309
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
POXKBPUNCDMQMW-YLVJLNSGSA-N
UniChem compound ID
52240265
1 reference
stated in
UniChem
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