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(Q82096685)
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English
3-[3-[5-(2-Carboxyethenyl)-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]prop-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
386.100167536
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₈O₈
0 references
canonical SMILES
O=C(O)C=CC=1C=C(OC)C(O)=C(C1)C=2C=C(C=CC(=O)O)C=C(OC)C2O
0 references
found in taxon
Aspergillus unilateralis
2 references
stated in
Aspergillazines A—E: Novel Heterocyclic Dipeptides from an Australian Strain of Aspergillus unilateralis.
stated in
Aspergillazines A-E: novel heterocyclic dipeptides from an Australian strain of Aspergillus unilateralis.
Identifiers
InChI
InChI=1S/C20H18O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h3-10,25-26H,1-2H3,(H,21,22)(H,23,24)
0 references
InChIKey
LBQZVWQOPFFQJI-UHFFFAOYSA-N
0 references
CAS Registry Number
436-96-4
0 references
PubChem CID
442785
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
LBQZVWQOPFFQJI-UHFFFAOYSA-N
UniChem compound ID
44175056
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90331951
1 reference
matched by identifier from
InChIKey
InChIKey
LBQZVWQOPFFQJI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70283045
0 references
CAB ID
131812
1 reference
stated in
CAB Thesaurus
retrieved
6 April 2020
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