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(Q77375939)
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English
7-(3-Butanonyl)-6,6-dimethyl-2-cyclohex-4-none-2-carboxylic acid
bioactive natural product
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
5,5-Dimethyl-3-oxo-6-(3-oxobutyl)cyclohexene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
238.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈O₄
0 references
canonical SMILES
O=C(O)C1=CC(=O)CC(C)(C)C1CCC(=O)C
0 references
isomeric SMILES
CC(=O)CC[C@H]1C(=CC(=O)CC1(C)C)C(=O)O
0 references
found in taxon
Streptomyces platensis
2 references
stated in
Isolation, structure and biological activities of platencin A(2)-A(4) from Streptomyces platensis
stated in
Isolation, structure and biological activities of platencin A(2)-A(4) from Streptomyces platensis
Identifiers
InChI
InChI=1S/C13H18O4/c1-8(14)4-5-11-10(12(16)17)6-9(15)7-13(11,2)3/h6,11H,4-5,7H2,1-3H3,(H,16,17)/t11-/m0/s1
0 references
InChIKey
YHNGXQALPYIXQZ-NSHDSACASA-N
2 references
stated in
PubChem
PubChem CID
139584793
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139584793
language of work or name
English
PubChem CID
139584793
2 references
stated in
PubChem
PubChem CID
139584793
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YHNGXQALPYIXQZ-NSHDSACASA-N
ChEBI ID
203180
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H18O4/c1-8(14)4-5-11-10(12(16)17)6-9(15)7-13(11,2)3/h6,11H,4-5,7H2,1-3H3,(H,16,17)/t11-/m0/s1
UniChem compound ID
154174606
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA006094
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHNGXQALPYIXQZ-NSHDSACASA-N
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