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

Feedback

(E)-sinapyl alcohol

	Properties	Image
MNX_ID	MNXM1368947
reference	chebi:64557
formula	C₁₁H₁₄O₄
global charge	0
mol weight	210.229
InChIKey	LZFOPEXOUVTGJS-ONEGZZNKSA-N
InChI	InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
SMILES	COC1=CC(/C=C/CO)=CC(OC)=C1O

MNX internals

InChI (mnx)	InChI=1/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
SMILES (mnx)	[CH3:1][O:14][C:9]1=[C:11]([OH:13])[C:10]([O:15][CH3:2])=[CH:7][C:8](/[CH:4]=[CH:3]/[CH2:5][OH:12])=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64557 chebi:64557 LZFOPEXOUVTGJS-ONEGZZNKSA-N	(E)-sinapyl alcohol 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol Sinapoyl alcohol trans-sinapyl alcohol
hmdb:HMDB0013070 LZFOPEXOUVTGJS-ONEGZZNKSA-N	Sinapyl alcohol (e)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propen-1-ol (e)-Sinapoyl alcohol (e)-Sinapyl alcohol 4-(3-Hydroxy-1-propenyl)-2,6-dimethoxy-phenol 4-(3-Hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenol 4-Hydroxy-3,5-dimethoxycinnamyl alcohol 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol Sinapic alcohol Sinapoyl alcohol Sinapyl alcohol(e) Sinapyl-alcohol sinapyl alcohol trans-Sinapoyl alcohol
vmhM:ainapoh vmhmetabolite:ainapoh LZFOPEXOUVTGJS-ONEGZZNKSA-N	Sinapyl alcohol 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol
kegg.compound:C02325 keggC:C02325 LZFOPEXOUVTGJS-ONEGZZNKSA-N	Sinapyl alcohol Sinapoyl alcohol
seed.compound:cpd01554 seedM:cpd01554 LZFOPEXOUVTGJS-ONEGZZNKSA-N	Sinapyl alcohol Sinapoyl alcohol sinapyl alcohol sinapyl-alcohol
metacyc.compound:SINAPYL-ALCOHOL metacycM:SINAPYL-ALCOHOL LZFOPEXOUVTGJS-ONEGZZNKSA-N	sinapyl alcohol
hmdb:HMDB13070 keggC:M_C02325 seedM:M_cpd01554 vmhM:M_ainapoh	secondary/obsolete/fantasy identifier