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(Q67865665)
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English
(E)-nerolidyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
farnesane sesquiterpenoid
0 references
mass
264.208930136
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₇H₂₈O₂
0 references
canonical SMILES
O=C(OC(C=C)(C)CCC=C(C)CCC=C(C)C)C
0 references
isomeric SMILES
CC(=CCC/C(=C/CCC(C)(C=C)OC(=O)C)/C)C
0 references
found in taxon
Santalum album
1 reference
stated in
Extraction ofSantalum album andBoswellia carterii Birdw. volatile oil by supercritical carbon dioxide: influence of some process parameters
Identifiers
InChI
InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+
0 references
InChIKey
PRNJXUQTUSFYLV-NTCAYCPXSA-N
0 references
PubChem CID
5363426
1 reference
matched by identifier from
InChIKey
InChIKey
PRNJXUQTUSFYLV-NTCAYCPXSA-N
ChEBI ID
173885
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+
SureChEMBL ID
SCHEMBL2004080
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PRNJXUQTUSFYLV-NTCAYCPXSA-N
UniChem compound ID
22657043
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP006486
0 references
Human Metabolome Database ID
HMDB0039630
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PRNJXUQTUSFYLV-NTCAYCPXSA-N
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