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(Q72505054)
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English
1H-Pyrrole-2-carboxylic acid 3-furanylmethyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrrole alkaloid
0 references
mass
191.058243148
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₉NO₃
0 references
canonical SMILES
C1=CNC(=C1)C(=O)OCC2=COC=C2
0 references
found in taxon
Pseudostellaria heterophylla
1 reference
stated in
Phytochemical Studies of the Chinese Herb Tai-zi-shen, Pseudostellaria heterophylla
Identifiers
InChI
InChI=1S/C10H9NO3/c12-10(9-2-1-4-11-9)14-7-8-3-5-13-6-8/h1-6,11H,7H2
0 references
InChIKey
CSYQMTPUTVJNPT-UHFFFAOYSA-N
0 references
CAS Registry Number
119767-00-9
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PubChem CID
189695
0 references
ChEBI ID
228840
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H9NO3/c12-10(9-2-1-4-11-9)14-7-8-3-5-13-6-8/h1-6,11H,7H2
UniChem compound ID
58383652
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60152579
0 references
DSSTOX compound identifier
DTXCID5075070
0 references
Probes And Drugs ID
PD125638
0 references
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