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

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syringaldehyde

	Properties	Image
MNX_ID	MNXM109129
reference	chebi:67380
formula	C₉H₁₀O₄
global charge	0
mol weight	182.175
InChIKey	KCDXJAYRVLXPFO-UHFFFAOYSA-N
InChI	InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
SMILES	COC1=CC(C=O)=CC(OC)=C1O

MNX internals

InChI (mnx)	InChI=1/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
SMILES (mnx)	[CH3:1][O:12][C:7]1=[C:9]([OH:11])[C:8]([O:13][CH3:2])=[CH:4][C:6]([CH:5]=[O:10])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67380 chebi:67380 KCDXJAYRVLXPFO-UHFFFAOYSA-N	syringaldehyde 4-hydroxy-3,5-dimethoxybenzaldehyde
sabiork.compound:21069 sabiorkM:21069 KCDXJAYRVLXPFO-UHFFFAOYSA-N	Syringaldehyde
hmdb:HMDB0258653 KCDXJAYRVLXPFO-UHFFFAOYSA-N	Syringaldehyde 2,6-Dimethoxy-4-formylphenol 3,5-Dimethoxy-4-hydroxy-benzaldehyde 3,5-Dimethoxy-4-hydroxybenzaldehyde 4-Formyl-2,6-dimethoxyphenol 4-Formylsyringol 4-Hydroxy-3,5-dimethoxybenzaldehyde 4-hydroxy-3,5-dimethoxybenzaldehyde Cedar aldehyde Gallaldehyde 3,5-dimethyl ether SYAL Sinapaldehyde Syringic aldehyde syringaldehyde
envipath:...1f20212381b0 envipathM:...1f20212381b0 KCDXJAYRVLXPFO-UHFFFAOYSA-N	compound 0230720
metacyc.compound:CPD-17106 metacycM:CPD-17106 seed.compound:cpd28926 seedM:cpd28926 seed.compound:cpd34024 seedM:cpd34024 KCDXJAYRVLXPFO-UHFFFAOYSA-N	syringaldehyde
seedM:M_cpd28926 seedM:M_cpd34024	secondary/obsolete/fantasy identifier