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CHEBI:149579 - 3-hydroxynonyl acetate
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ChEBI Name
3-hydroxynonyl acetate
ChEBI ID
CHEBI:149579
Definition
An acetate ester resulting from the formal condensation of the carboxy group of acetic acid with 1-hydroxy group of nonane-1,3-diol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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Molfile
Formula
C11H22O3
Net Charge
0
Average Mass
202.294
Monoisotopic Mass
202.15689
InChI
InChI=1S/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3
InChIKey
RTYFAKSWXDNPPU-UHFFFAOYSA-N
SMILES
CC(OCCC(O)CCCCCC)=O
ChEBI Ontology
Outgoing
3-hydroxynonyl acetate (
CHEBI:149579
)
is a
acetate ester (
CHEBI:47622
)
3-hydroxynonyl acetate (
CHEBI:149579
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
3-hydroxynonyl acetate
Synonyms
Sources
1,3-nonanediol acetate
ChemIDplus
1,3-nonanediol monoacetate
ChemIDplus
Manual Xrefs
Databases
FDB016746
FooDB
HMDB0032443
HMDB
LMFA07010753
LIPID MAPS
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Registry Number
Type
Source
1322-17-4
CAS Registry Number
ChemIDplus
Last Modified
20 July 2020