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(Q104197013)
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English
(R)N-(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)phenylalanine
group of stereoisomers with the chemical formula C₂₀H₁₈ClNO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
403.082264976
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₈ClNO₆
0 references
canonical SMILES
CC1Cc2c(Cl)cc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1
0 references
found in taxon
Aspergillus ochraceus
1 reference
stated in
Chemical and Cytotoxicity Survey on the Production of Ochratoxins and Penicillic Acid by Aspergillus ochraceus WILHELM
Aspergillus
1 reference
stated in
Biosynthesis of ochratoxins by Aspergillus ochraceus
Identifiers
InChI
InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)
0 references
InChIKey
RWQKHEORZBHNRI-UHFFFAOYSA-N
0 references
PubChem CID
4580
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RWQKHEORZBHNRI-UHFFFAOYSA-N
UniChem compound ID
29721290
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Athens_Univ-AU596600
1 reference
InChIKey
RWQKHEORZBHNRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU596601
1 reference
InChIKey
RWQKHEORZBHNRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU596602
1 reference
InChIKey
RWQKHEORZBHNRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU596603
1 reference
InChIKey
RWQKHEORZBHNRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU596604
1 reference
InChIKey
RWQKHEORZBHNRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID30859321
1 reference
matched by identifier from
InChIKey
InChIKey
RWQKHEORZBHNRI-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0248107
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RWQKHEORZBHNRI-UHFFFAOYSA-N
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