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3D-3,5/4-trihydroxycyclohexane-1,2-dione

MNXM114119 is deprecated and here replaced by MNXM726867
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM726867

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	5

formula

C₆H₈O₅

charge

mass

160.03717

reference

InChIKey

SHFQRUVRUBHHRE-CJPQEGFPSA-N

InChI

InChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4,6-7,9,11H,1H2/t2-,4+,6-/m1/s1

SMILES

O=C1C[C@@H](O)[C@H](O)[C@@H](O)C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28446 chebi:28446	3D-3,5/4-trihydroxycyclohexane-1,2-dione (3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione (3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione 3,5/4-Trihydroxycyclohexa-1,2-dione D-2,3-Diketo-4-deoxy-epi-inositol
metacyc.compound:CPD-1133 metacycM:CPD-1133	3D-(3,5/4)-trihydroxycyclohexane-1,2-dione (3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione 3,5/4-trihydroxycyclohexa-1,2-dione D-2,3-diketo-4-deoxy-epi-inositol THcHDO
kegg.compound:C04287 keggC:C04287	3D-3,5/4-Trihydroxycyclohexane-1,2-dione (3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione 3,5/4-Trihydroxycyclohexa-1,2-dione D-2,3-Diketo-4-deoxy-epi-inositol
seed.compound:cpd02631 seedM:cpd02631	DKDI (3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione (3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione 3,5/4-Trihydroxycyclohexa-1,2-dione 3,5/4-trihydroxycyclohexa-1,2-dione 3D-(3,5/4)-Trihydroxycyclohexa-1,2-dione 3D-(3,5/4)-Trihydroxycyclohexane-1,2-dione 3D-(3,5/4)-trihydroxycyclohexane-1,2-dione D-2,3-Diketo 4-deoxy-epi-inositol D-2,3-Diketo-4-deoxy-epi-inositol D-2,3-diketo-4-deoxy-epi-inositol THcHDO cbs_76
chebi:20887 keggC:M_C04287 seedM:M_cpd02631	secondary/obsolete/fantasy identifier