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(Q105169651)
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English
5-Hepta-1,3-dienyl-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
group of stereoisomers with the chemical formula C₁₄H₂₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
254.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂O₄
0 references
canonical SMILES
O=C1C(O)C(O)CC(C=CC=CCCC)C1CO
0 references
found in taxon
Penicillium brefeldianum
1 reference
stated in
Über die Isolierung neuer Stoffwechselprodukte ausPenicillium brefeldianumDODGE
Penicillium dodgei
1 reference
stated in
Über die Isolierung neuer Stoffwechselprodukte ausPenicillium brefeldianumDODGE
Identifiers
InChI
InChI=1S/C14H22O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,10-12,14-16,18H,2-3,8-9H2,1H3
0 references
InChIKey
MPOXQBRZHHNMER-UHFFFAOYSA-N
0 references
PubChem CID
317008
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
49408328
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-HBM4EU-HB003710
1 reference
InChIKey
MPOXQBRZHHNMER-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003711
1 reference
InChIKey
MPOXQBRZHHNMER-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB004086
1 reference
InChIKey
MPOXQBRZHHNMER-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB004088
1 reference
InChIKey
MPOXQBRZHHNMER-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003712
1 reference
InChIKey
MPOXQBRZHHNMER-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB004087
1 reference
InChIKey
MPOXQBRZHHNMER-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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