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

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indole-3-methanol

	Properties	Image
MNX_ID	MNXM5182
reference	chebi:24814
formula	C₉H₉NO
global charge	0
mol weight	147.177
InChIKey	IVYPNXXAYMYVSP-UHFFFAOYSA-N
InChI	InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
SMILES	OCC1=CNC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:9]2[C:8](=[CH:3]1)[C:7]([CH2:6][OH:11])=[CH:5][NH:10]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:24814 chebi:24814 IVYPNXXAYMYVSP-UHFFFAOYSA-N	indole-3-methanol 1H-indol-3-ylmethanol 3-hydroxymethylindole 3-indolylcarbinol indole-3-carbinol
hmdb:HMDB0005785 IVYPNXXAYMYVSP-UHFFFAOYSA-N	Indole-3-carbinol (1H-Indol-3-yl)methanol (1H-indol-3-yl)methanol 1H-Indole-3-methanol 1H-indol-3-Ylmethanol 3-(Hydroxymethyl)indole 3-Hydroxymethylindole 3-Indolecarbinol 3-Indolylcarbinol 3-Indolylmethanol I3c CPD Indinol Indole-3-methanol indole-3-carbinol
seed.compound:cpd26650 seedM:cpd26650 IVYPNXXAYMYVSP-UHFFFAOYSA-N	indole-3-carbinol
metacyc.compound:CPDQT-428 metacycM:CPDQT-428 IVYPNXXAYMYVSP-UHFFFAOYSA-N	indole-3-carbinol 1H-(indol-3-yl)methanol 3-hydroxymethylindole indole-3-methanol
hmdb:HMDB05785 seedM:M_cpd26650	secondary/obsolete/fantasy identifier