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(Q105142276)
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English
2-hydroxyethyl octadeca-9,12-dienoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
mass
324.266445012
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₆O₃
0 references
canonical SMILES
O=C(OCCO)CCCCCCCC=CCC=CCCCCC
0 references
found in taxon
Tagetes erecta
1 reference
stated in
Chemical constituents from Tagetes erecta flowers
Identifiers
InChI
InChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h6-7,9-10,21H,2-5,8,11-19H2,1H3
0 references
InChIKey
KKNRLFRQWDXUQD-UHFFFAOYSA-N
0 references
CAS Registry Number
61596-58-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
53999537
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KKNRLFRQWDXUQD-UHFFFAOYSA-N
UniChem compound ID
27089017
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701299607
1 reference
matched by identifier from
InChIKey
InChIKey
KKNRLFRQWDXUQD-UHFFFAOYSA-N
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