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(Q103816804)
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English
1,7-diazatricyclo[7.3.0.0³,⁷]dodecane-2,8-dione
group of stereoisomers with the chemical formula C₁₀H₁₄N₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic 2,5-diketopiperazine
1 reference
inferred from
biogenic 2,5-diketopiperazine
mass
194.105527688
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₄N₂O₂
0 references
canonical SMILES
O=C1N2CCCC2C(=O)N3CCCC13
0 references
found in taxon
Coffea arabica
1 reference
stated in
Identification of proline-based diketopiperazines in roasted coffee
Streptomyces xiamenensis
1 reference
stated in
Chemical constituents from the deep sea-derived Streptomyces xiamenensis MCCC 1A01570 and their effects on RXRα transcriptional regulation
Aspergillus fumigatus
1 reference
stated in
Metabolomics ofAspergillus fumigatus
Identifiers
InChI
InChI=1S/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2
0 references
InChIKey
BKASXWPLSXFART-UHFFFAOYSA-N
0 references
PubChem CID
529063
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BKASXWPLSXFART-UHFFFAOYSA-N
ChEBI ID
228280
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2
UniChem compound ID
24438134
1 reference
stated in
UniChem
NMRShiftDB structure ID
20181477
1 reference
matched by identifier from
InChIKey
InChIKey
BKASXWPLSXFART-UHFFFAOYSA-N
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