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(Q77512728)
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English
Heptane-2,5-dione
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ketone
0 references
mass
128.083729624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₂O₂
0 references
canonical SMILES
CCC(=O)CCC(=O)C
0 references
found in taxon
Streptomyces
1 reference
stated in
Volatiles Released by aStreptomyces Species Isolated from the North Sea
Identifiers
InChI
InChI=1S/C7H12O2/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3
0 references
InChIKey
HGRGPAAXHOTBAM-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
15559
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
15559
language of work or name
English
CAS Registry Number
1703-51-1
0 references
PubChem CID
15559
2 references
stated in
PubChem
PubChem CID
15559
language of work or name
English
matched by identifier from
InChIKey
InChIKey
HGRGPAAXHOTBAM-UHFFFAOYSA-N
ChEBI ID
179466
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C7H12O2/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3
SureChEMBL ID
SCHEMBL588863
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HGRGPAAXHOTBAM-UHFFFAOYSA-N
UniChem compound ID
14496007
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-MSSJ-MSJ00641
1 reference
InChIKey
HGRGPAAXHOTBAM-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-MSSJ-MSJ00642
1 reference
InChIKey
HGRGPAAXHOTBAM-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID7073272
1 reference
matched by identifier from
InChIKey
InChIKey
HGRGPAAXHOTBAM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1035444
0 references
UNII
UP8A88O1MS
1 reference
matched by identifier from
InChIKey
InChIKey
HGRGPAAXHOTBAM-UHFFFAOYSA-N
Natural Product Atlas ID
NPA013026
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HGRGPAAXHOTBAM-UHFFFAOYSA-N
LIPID MAPS ID
LMFA12000245
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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