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(Q115952308)
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English
4-Amino-5-[2-[6-(hydroxymethyl)-4-methyl-3-oxo-1,2-dihydroinden-5-yl]ethoxy]-5-oxopentanoic acid
group of stereoisomers with the chemical formula C₁₈H₂₃NO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
349.152537456
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₃NO₆
0 references
canonical SMILES
O=C(O)CCC(N)C(=O)OCCC=1C(=CC2=C(C(=O)CC2)C1C)CO
0 references
found in taxon
Pteridium aquilinum
1 reference
stated in
Cytotoxicity and carcinogenicity of pterosins and pterosides, 1-indanone derivatives from bracken (Pteridium aquilinum)
Identifiers
InChI
InChI=1S/C18H23NO6/c1-10-13(6-7-25-18(24)14(19)3-5-16(22)23)12(9-20)8-11-2-4-15(21)17(10)11/h8,14,20H,2-7,9,19H2,1H3,(H,22,23)
0 references
InChIKey
PHDNTWDRIHMZKO-UHFFFAOYSA-N
0 references
PubChem CID
162916646
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PHDNTWDRIHMZKO-UHFFFAOYSA-N
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