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(Q83013426)
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Atalafoline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
acridone alkaloid
0 references
mass
331.105587264
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₇NO₆
0 references
canonical SMILES
CN1C2=CC(=C(C(=C2C(=O)C3=C1C(=C(C=C3)OC)OC)O)OC)O
0 references
found in taxon
Citrus grandis
1 reference
stated in
Alkaloids and coumarins from stem bark of Citrus grandis
pomelo
1 reference
stated in
Alkaloids and coumarins from stem bark of Citrus grandis
Identifiers
InChI
InChI=1S/C17H17NO6/c1-18-9-7-10(19)16(23-3)15(21)12(9)14(20)8-5-6-11(22-2)17(24-4)13(8)18/h5-7,19,21H,1-4H3
0 references
InChIKey
SMZNQRJKSRSJJH-UHFFFAOYSA-N
0 references
CAS Registry Number
107259-49-4
1 reference
InChIKey
SMZNQRJKSRSJJH-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=107259-49-4
PubChem CID
5487955
1 reference
matched by identifier from
InChIKey
InChIKey
SMZNQRJKSRSJJH-UHFFFAOYSA-N
UniChem compound ID
44662018
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00147984
1 reference
matched by identifier from
InChIKey
InChIKey
SMZNQRJKSRSJJH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2070475
0 references
KNApSAcK ID
C00052204
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SMZNQRJKSRSJJH-UHFFFAOYSA-N
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