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acromelic acid E
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
acromelic acid
0 references
3-[5-Carboxy-4-(carboxymethyl)pyrrolidin-3-yl]pyridine-2-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
chemical structure
Acromelic acid E 01.svg
460 × 460; 16 KB
0 references
mass
294.085186168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄N₂O₆
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canonical SMILES
O=C(O)C1=NC=CC=C1C2CNC(C(=O)O)C2CC(=O)O
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isomeric SMILES
C1[C@@H]([C@@H]([C@H](N1)C(=O)O)CC(=O)O)C2=C(N=CC=C2)C(=O)O
0 references
found in taxon
Paralepistopsis acromelalga
2 references
stated in
Isolation of Acromelic Acids D and E from Clitocybe acromelalga
stated in
Isolation of Acromelic Acids D and E from Clitocybe acromelalga
Identifiers
InChI
InChI=1S/C13H14N2O6/c16-9(17)4-7-8(5-15-11(7)13(20)21)6-2-1-3-14-10(6)12(18)19/h1-3,7-8,11,15H,4-5H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8+,11-/m0/s1
0 references
InChIKey
IKLXLRRNKJKWMY-RNSXUZJQSA-N
0 references
CAS Registry Number
145237-01-0
0 references
PubChem CID
3086662
1 reference
matched by identifier from
InChIKey
InChIKey
IKLXLRRNKJKWMY-RNSXUZJQSA-N
UniChem compound ID
33686438
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60162951
1 reference
matched by identifier from
InChIKey
InChIKey
IKLXLRRNKJKWMY-RNSXUZJQSA-N
DSSTOX compound identifier
DTXCID6085442
0 references
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