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(Q105213338)
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English
9,16-dioxooctadeca-10,12,14-trienoic acid
chemical compound
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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
fatty acid
0 references
biogenic acyclic ketone
0 references
mass
306.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₆O₄
0 references
canonical SMILES
O=C(O)CCCCCCCC(=O)C=CC=CC=CC(=O)CC
0 references
found in taxon
Helianthus hirsutus
1 reference
stated in
Ent-pimaranes, ent-kauranes, Heliangolides and other Constituents of three Helianthus species
Identifiers
InChI
InChI=1S/C18H26O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14H,2-5,9,11,13,15H2,1H3,(H,21,22)
0 references
InChIKey
PQPRTPXWQQQKJC-UHFFFAOYSA-N
0 references
PubChem CID
73450242
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
76455501
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309074
1 reference
InChIKey
PQPRTPXWQQQKJC-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
DTXSID701347305
1 reference
matched by identifier from
InChIKey
InChIKey
PQPRTPXWQQQKJC-UHFFFAOYSA-N
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