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(Q77509434)
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Acetyl-3-hydroxyisobutyric acid
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
mass
146.0579088
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₁₀O₄
0 references
canonical SMILES
O=C(OCC(C(=O)O)C)C
0 references
found in taxon
Tolypocladium cylindrosporum
1 reference
stated in
Differential analysis of 2D NMR spectra: new natural products from a pilot-scale fungal extract library
Identifiers
InChI
InChI=1S/C6H10O4/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)
0 references
InChIKey
MQLMCMRCMGKYFQ-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
20194286
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
20194286
language of work or name
English
CAS Registry Number
36452-04-7
0 references
PubChem CID
20194286
2 references
stated in
PubChem
PubChem CID
20194286
language of work or name
English
matched by identifier from
InChIKey
InChIKey
MQLMCMRCMGKYFQ-UHFFFAOYSA-N
UniChem compound ID
24921036
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40603397
1 reference
matched by identifier from
InChIKey
InChIKey
MQLMCMRCMGKYFQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00554154
0 references
Natural Product Atlas ID
NPA012519
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MQLMCMRCMGKYFQ-UHFFFAOYSA-N
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