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(Q75057942)
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English
Diatretol
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Benzyl-3-hydroxy-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione
1 reference
based on heuristic
inferred from SMILES
mass
306.157957184
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Lepistamide A
1 reference
based on heuristic
inferred from InChIKey
(3R,6R)-3-benzyl-3-hydroxy-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2S)-2beta-Hydroxy-2-benzyl-5beta-(2-methylpropyl)-5-methoxypiperazine-3,6-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₂N₂O₄
0 references
canonical SMILES
COC1(CC(C)C)NC(=O)C(O)(Cc2ccccc2)NC1=O
0 references
isomeric SMILES
CC(C)C[C@@]1(C(=O)N[C@](C(=O)N1)(CC2=CC=CC=C2)O)OC
0 references
found in taxon
Clitocybe diatreta
2 references
stated in
Secondary Mould Metabolites, LII. Structure Elucidation of Diatretol – A New Diketopiperazine Metabolite from the FungusClitocybe diatreta
stated in
Secondary Mould Metabolites, LII. Structure Elucidation of Diatretol – A New Diketopiperazine Metabolite from the FungusClitocybe diatreta
Identifiers
InChI
InChI=1S/C16H22N2O4/c1-11(2)9-16(22-3)14(20)17-15(21,13(19)18-16)10-12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,17,20)(H,18,19)/t15-,16+/m1/s1
0 references
InChIKey
NDEDJEICWCDGNY-CVEARBPZSA-N
0 references
PubChem CID
15294183
2 references
stated in
PubChem
PubChem CID
15294183
language of work or name
English
matched by identifier from
InChIKey
InChIKey
NDEDJEICWCDGNY-CVEARBPZSA-N
ChEBI ID
198100
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H22N2O4/c1-11(2)9-16(22-3)14(20)17-15(21,13(19)18-16)10-12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,17,20)(H,18,19)/t15-,16+/m1/s1
UniChem compound ID
32045002
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000649
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NDEDJEICWCDGNY-CVEARBPZSA-N
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