MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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nonyl acetate

	Properties	Image
MNX_ID	MNXM99906
reference	chebi:87511
formula	C₁₁H₂₂O₂
global charge	0
mol weight	186.295
InChIKey	GJQIMXVRFNLMTB-UHFFFAOYSA-N
InChI	InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
SMILES	CCCCCCCCCOC(C)=O

MNX internals

InChI (mnx)	InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:13][C:11]([CH3:2])=[O:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87511 chebi:87511 GJQIMXVRFNLMTB-UHFFFAOYSA-N	nonyl acetate acetic acid nonyl ester
sabiork.compound:23135 sabiorkM:23135 GJQIMXVRFNLMTB-UHFFFAOYSA-N	Nonyl acetate
hmdb:HMDB0040266 GJQIMXVRFNLMTB-UHFFFAOYSA-N	Nonyl acetate 1-Acetoxynonane 1-Nonyl acetate Acetate C-9 Acetate nonyl ester Acetic acid N-nonyl ester Acetic acid nonyl ester Acetic acid, nonyl ester FEMA 2788 N-Nonanyl acetate N-Nonyl acetate N-Nonyl ethanoate Nonanol acetate Nonyl acetic acid Nonyl alcohol, acetate Nonyl alcohol, acetate (6ci) Nonyl ethanoate Pelargonyl acetate acetic acid, nonyl ester nonyl acetate
lipidmaps:LMFA07010200 lipidmapsM:LMFA07010200 GJQIMXVRFNLMTB-UHFFFAOYSA-N	SFE 9:0/2:0 Nonyl acetate SFE 11:0 SFE(9:0/2:0)
hmdb:HMDB40266	secondary/obsolete/fantasy identifier