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(Q76304650)
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English
(3E,5E)-octa-3,5-dien-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
124.088815004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₂O
0 references
canonical SMILES
O=C(C=CC=CCC)C
0 references
isomeric SMILES
CC/C=C/C=C/C(=O)C
0 references
found in taxon
Matricaria chamomilla
1 reference
stated in
Propagation Method and Distillation Apparatus Type Affect Essential Oil from Different Parts of Matricaria recutita L. Plants
Chamomilla recutita
1 reference
stated in
Propagation Method and Distillation Apparatus Type Affect Essential Oil from Different Parts of Matricaria recutita L. Plants
Ceratophyllum demersum
1 reference
stated in
Chemical composition of essential oils of two submerged macrophytes,Ceratophyllum demersum L. andVallisneria spiralis L.
maize
1 reference
stated in
Volatile Flavor Components of Corn Tortillas and Related Products
Identifiers
InChI
InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+
0 references
InChIKey
LWRKMRFJEUFXIB-YTXTXJHMSA-N
0 references
CAS Registry Number
30086-02-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5352876
1 reference
matched by identifier from
InChIKey
InChIKey
LWRKMRFJEUFXIB-YTXTXJHMSA-N
ChEBI ID
191436
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+
SureChEMBL ID
SCHEMBL309595
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LWRKMRFJEUFXIB-YTXTXJHMSA-N
SCHEMBL309596
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LWRKMRFJEUFXIB-YTXTXJHMSA-N
UniChem compound ID
31994565
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701016433
1 reference
matched by identifier from
InChIKey
InChIKey
LWRKMRFJEUFXIB-YTXTXJHMSA-N
Human Metabolome Database ID
HMDB0032446
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LWRKMRFJEUFXIB-YTXTXJHMSA-N
KNApSAcK ID
C00052668
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LWRKMRFJEUFXIB-YTXTXJHMSA-N
LIPID MAPS ID
LMFA12000017
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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