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Methyl vernolate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 11-(3-pentyloxiran-2-yl)undec-9-enoate
1 reference
based on heuristic
inferred from SMILES
mass
310.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Vernolic acid methyl ester
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₃₄O₃
0 references
canonical SMILES
O=C(OC)CCCCCCCC=CCC1OC1CCCCC
0 references
isomeric SMILES
CCCCC[C@H]1O[C@H]1C/C=C\CCCCCCCC(=O)OC
0 references
found in taxon
Xeranthemum annuum
1 reference
stated in
cis-5,cis-9,cis-12-octadecatrienoic and some unusual oxygenated acids inXeranthemum annuum seed oil.
Identifiers
InChI
InChI=1S/C19H34O3/c1-3-4-11-14-17-18(22-17)15-12-9-7-5-6-8-10-13-16-19(20)21-2/h9,12,17-18H,3-8,10-11,13-16H2,1-2H3/b12-9-/t17-,18+/m1/s1
0 references
InChIKey
JTSVQVYMBXVLFI-UKBCLVJRSA-N
0 references
CAS Registry Number
2733-91-7
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
12255581
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
SureChEMBL ID
SCHEMBL291932
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JTSVQVYMBXVLFI-UKBCLVJRSA-N
UniChem compound ID
16418569
1 reference
stated in
UniChem
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