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

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methyl (indol-3-yl)acetate

	Properties	Image
MNX_ID	MNXM1093386
reference	chebi:72782
formula	C₁₁H₁₁NO₂
global charge	0
mol weight	189.214
InChIKey	KTHADMDGDNYQRX-UHFFFAOYSA-N
InChI	InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
SMILES	COC(=O)CC1=CNC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
SMILES (mnx)	[CH3:1][O:14][C:11]([CH2:6][C:8]1=[CH:7][NH:12][C:10]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:9]12)=[O:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72782 chebi:72782 KTHADMDGDNYQRX-UHFFFAOYSA-N	methyl (indol-3-yl)acetate Indole-3-acetic acid, methyl ester Methyl indol-3-ylacetate beta-indolylacetic acid methyl ester methyl 1H-indol-3-ylacetate methyl 3-indolylacetate methyl beta-indoleacetate methyl beta-indolylacetate
seed.compound:cpd22713 seedM:cpd22713 KTHADMDGDNYQRX-UHFFFAOYSA-N	IAA methyl ester Indole-3-acetic acid, methyl ester MeIAA Methyl (indol-3-yl)acetate indole-3-acetic acid methyl ester methyl (indol-3-yl)acetate methyl 2-(1H-indol-3-yl)acetate methyl IAA methyl indole-3-acetate
hmdb:HMDB0029738 KTHADMDGDNYQRX-UHFFFAOYSA-N	Indole-3-methyl acetate (1H-Indol-3-yl)acetic acid methyl ester 1H-Indole-3-acetic acid, methyl ester IAA methyl ester INDOLE-3-acetIC ACID methylester Indole-3-acetate, methyl ester Indole-3-acetic acid methyl ester Indole-3-acetic acid, methyl ester Indole-3-methyl acetic acid Indolyl-3-acetic acid methyl ester Meiaa Methyl (indol-3-yl)acetic acid Methyl 1H-indol-3-ylacetate Methyl 1H-indole-3-acetate Methyl 2-(1H-indol-3-yl)acetate Methyl 3-indolylacetate Methyl 3-indolylacetic acid Methyl b-indoleacetate Methyl b-indoleacetic acid Methyl b-indolylacetate Methyl b-indolylacetic acid Methyl beta -indoleacetate Methyl beta -indolylacetate Methyl beta-indoleacetate Methyl beta-indoleacetic acid Methyl beta-indolylacetate Methyl beta-indolylacetic acid Methyl iaa Methyl indol-3-ylacetate Methyl indol-3-ylacetic acid Methyl indole-3-acetate Methyl-IAA Methylester OF 3-indoleacetic acid b-Indolylacetate methyl ester b-Indolylacetic acid methyl ester beta -Indolylacetic acid methyl ester beta-Indolylacetate methyl ester beta-Indolylacetic acid methyl ester beta-indolylacetate methyl ester beta-indolylacetic acid methyl ester
kegg.compound:C20635 keggC:C20635 KTHADMDGDNYQRX-UHFFFAOYSA-N	Methyl (indol-3-yl)acetate
bigg.metabolite:CE2122 biggM:CE2122 bigg.metabolite:mind3ac biggM:mind3ac KTHADMDGDNYQRX-UHFFFAOYSA-N	Methyl indole-3-acetate
metacyc.compound:CPD-10546 metacycM:CPD-10546 KTHADMDGDNYQRX-UHFFFAOYSA-N	methyl (indol-3-yl)acetate IAA methyl ester MeIAA indole-3-acetic acid methyl ester methyl 2-(1H-indol-3-yl)acetate methyl IAA methyl indole-3-acetate
vmhM:CE2122 vmhmetabolite:CE2122 KTHADMDGDNYQRX-UHFFFAOYSA-N	methyl indole-3-acetate methyl 2-(1H-indol-3-yl)acetate
hmdb:HMDB29738 biggM:M_CE2122 biggM:M_mind3ac keggC:M_C20635 seedM:M_cpd22713 vmhM:M_CE2122	secondary/obsolete/fantasy identifier