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

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Mevaldate

	Properties	Image
MNX_ID	MNXM732495
reference	keggC:C00772
formula	C₆H₁₀O₄
global charge	0
mol weight	146.142
InChIKey	IWRRRSOSYPFCDM-UHFFFAOYSA-N
InChI	InChI=1S/C6H10O4/c1-6(9)2-4(7)10-5(8)3-6/h4,7,9H,2-3H2,1H3
SMILES	CC1(O)CC(=O)OC(O)C1

MNX internals

InChI (mnx)	InChI=1/C6H10O4/c1-6(9)2-4(7)10-5(8)3-6/h4,7,9H,2-3H2,1H3/t4?,6?
SMILES (mnx)	[CH3:1][C:6]1([OH:9])[CH2:2][CH:4]([OH:7])[O:10][C:5](=[O:8])[CH2:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C00772 keggC:C00772 IWRRRSOSYPFCDM-UHFFFAOYSA-N	Mevaldate Mevaldic acid
keggC:M_C00772	secondary/obsolete/fantasy identifier