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

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eugenol

	Properties	Image
MNX_ID	MNXM3594
reference	chebi:4917
formula	C₁₀H₁₂O₂
global charge	0
mol weight	164.204
InChIKey	RRAFCDWBNXTKKO-UHFFFAOYSA-N
InChI	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
SMILES	C=CCC1=CC(OC)=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
SMILES (mnx)	[CH2:1]=[CH:3][CH2:4][C:8]1=[CH:7][C:10]([O:12][CH3:2])=[C:9]([OH:11])[CH:6]=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9737185 reactomeM:R-ALL-9737185 CHEBI:4917 chebi:4917 RRAFCDWBNXTKKO-UHFFFAOYSA-N	eugenol 1,3,4-Eugenol 1-Hydroxy-2-methoxy-4-allylbenzene 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene 1-Hydroxy-2-methoxy-4-propenylbenzene 1-allyl-3-methoxy-4-hydroxybenzene 1-allyl-4-hydroxy-3-methoxybenzene 2-Hydroxy-5-allylanisole 2-Methoxy-1-hydroxy-4-allylbenzene 2-Methoxy-4-(2-propen-1-yl)phenol 2-Methoxy-4-(2-propenyl)phenol 2-Methoxy-4-allylphenol 2-Methoxy-4-prop-2-enylphenol 2-methoxy-4-(2-propen-1-yl)phenol 2-methoxy-4-(prop-2-en-1-yl)phenol 2-methoxy-4-prop-2-enyl-phenol 4-Allyl-1-hydroxy-2-methoxybenzene 4-Allyl-2-methoxyphenol 4-Allylcatechol-2-methyl ether 4-Allylguaiacol 4-Hydroxy-3-methoxy-1-allylbenzene 4-allyl-2-methoxyphenol Allylguaiacol Caryophyllic acid Eugenic acid Eugenol p-Allylguaiacol p-Eugenol
kegg.compound:C10453 keggC:C10453 RRAFCDWBNXTKKO-UHFFFAOYSA-N	Eugenol
kegg.drug:D04117 keggD:D04117 RRAFCDWBNXTKKO-UHFFFAOYSA-N	Eugenol (USP)
hmdb:HMDB0005809 RRAFCDWBNXTKKO-UHFFFAOYSA-N	Eugenol 1,3,4-Eugenol 1-Allyl-3-methoxy-4-hydroxybenzene 1-Allyl-4-hydroxy-3-methoxybenzene 1-Hydroxy-2-methoxy-4-allylbenzene 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene 1-Hydroxy-2-methoxy-4-propenylbenzene 2-Hydroxy-5-allylanisole 2-Methoxy-1-hydroxy-4-allylbenzene 2-Methoxy-4-(2'-propenyl)phenol 2-Methoxy-4-(2-propen-1-yl)phenol 2-Methoxy-4-(2-propenyl)phenol 2-Methoxy-4-(3-propenyl)phenol 2-Methoxy-4-(prop-2-en-1-yl)phenol 2-Methoxy-4-[2-allyl]phenol 2-Methoxy-4-allylphenol 2-Methoxy-4-prop-2-enyl-phenol 2-Methoxy-4-prop-2-enylphenol 2-methoxy-4-(prop-2-en-1-yl)phenol 3-(3-Methoxy-4-hydroxyphenyl)propene 3-(4-Hydroxy-3-methoxyphenyl)-1-propene 4-Allenylguaiacol 4-Allyl-1-hydroxy-2-methoxybenzene 4-Allyl-2-methoxy-phenol 4-Allyl-2-methoxyphenol 4-Allylcatechol 2-methyl ether 4-Allylcatechol-2-methyl ether 4-Allylguaiacol 4-Hydroxy-3-methoxy-1-allylbenzene 4-Hydroxy-3-methoxyallylbenzene 5-Allylguaiacol Allylguaiacol Caryophyllate Caryophyllic acid Engenol Eugenate Eugenic acid Eugenol (natural) Synthetic eugenol eugenol p-Allylguaiacol p-Eugenol
sabiork.compound:12535 sabiorkM:12535 RRAFCDWBNXTKKO-UHFFFAOYSA-N	Eugenol 4-Allylguaiacol
seed.compound:cpd07339 seedM:cpd07339 RRAFCDWBNXTKKO-UHFFFAOYSA-N	Eugenol eugenol
metacyc.compound:CPD-6481 metacycM:CPD-6481 RRAFCDWBNXTKKO-UHFFFAOYSA-N	eugenol
hmdb:HMDB05809 keggC:M_C10453 keggD:M_D04117 seedM:M_cpd07339	secondary/obsolete/fantasy identifier