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(Q110183808)
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English
(4R)-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
180.089877624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₂N₂O₂
0 references
canonical SMILES
O=C1OCC(C1)CC2=CN=CN2C
0 references
isomeric SMILES
Cn1cncc1C[C@H]1COC(=O)C1
0 references
found in taxon
Pilocarpus microphyllus
1 reference
stated in
Characterization of the variation in the imidazole alkaloid profile ofPilocarpus microphyllus in different seasons and parts of the plant by electrospray ionization mass spectrometry fingerprinting and identification of novel alkaloids by tandem mass
Identifiers
InChI
InChI=1S/C9H12N2O2/c1-11-6-10-4-8(11)2-7-3-9(12)13-5-7/h4,6-7H,2-3,5H2,1H3/t7-/m1/s1
0 references
InChIKey
YOIFSTUAGLOWPB-SSDOTTSWSA-N
0 references
CAS Registry Number
38993-86-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
12314275
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YOIFSTUAGLOWPB-SSDOTTSWSA-N
UniChem compound ID
99509
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301167533
1 reference
matched by identifier from
InChIKey
InChIKey
YOIFSTUAGLOWPB-SSDOTTSWSA-N
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