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

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microthecin

	Properties	Image
MNX_ID	MNXM2837
reference	chebi:51835
formula	C₆H₈O₄
global charge	0
mol weight	144.126
InChIKey	FUJVJJBVXLPRQJ-UHFFFAOYSA-N
InChI	InChI=1S/C6H8O4/c7-4-6(9)5(8)2-1-3-10-6/h1-2,7,9H,3-4H2
SMILES	O=C1C=CCOC1(O)CO

MNX internals

InChI (mnx)	InChI=1/C6H8O4/c7-4-6(9)5(8)2-1-3-10-6/h1-2,7,9H,3-4H2/t6?
SMILES (mnx)	[CH:1]1=[CH:2][C:5](=[O:8])[C:6]([CH2:4][OH:7])([OH:9])[O:10][CH2:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-9435 metacycM:CPD-9435 CHEBI:51835 chebi:51835 FUJVJJBVXLPRQJ-UHFFFAOYSA-N	microthecin 2-hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one
seed.compound:cpd21064 seedM:cpd21064 FUJVJJBVXLPRQJ-UHFFFAOYSA-N	2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one 2-hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one Microthecin microthecin
kegg.compound:C19821 keggC:C19821 FUJVJJBVXLPRQJ-UHFFFAOYSA-N	2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one Microthecin
envipath:...1b77e20ce5bc envipathM:...1b77e20ce5bc FUJVJJBVXLPRQJ-UHFFFAOYSA-N	Microthecin
keggC:M_C19821 seedM:M_cpd21064	secondary/obsolete/fantasy identifier