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

MNXM114119 is deprecated and here replaced by MNXM1371002
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371002 Image of MNXM1371002
referencechebi:28446
formulaC6H8O5
global charge0
mol weight160.125
InChIKeySHFQRUVRUBHHRE-CJPQEGFPSA-N
InChIInChI=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
SMILESO=C1C[C@@H](O)[C@H](O)[C@@H](O)C1=O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1371002
SMILES (mnx)[CH2:1]1[C@@H:2]([OH:7])[C@H:4]([OH:9])[C@@H:6]([OH:11])[C:5](=[O:10])[C:3]1=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28446
chebi:28446
SHFQRUVRUBHHRE-CJPQEGFPSA-N 		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
SHFQRUVRUBHHRE-CJPQEGFPSA-N 		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
SHFQRUVRUBHHRE-CJPQEGFPSA-N 		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:cpd19055
seedM:cpd19055
SHFQRUVRUBHHRE-CJPQEGFPSA-N 		D-2,3-Diketo 4-deoxy-epi-inositol
DKDI

seed.compound:cpd02631
seedM:cpd02631
SHFQRUVRUBHHRE-CJPQEGFPSA-N 		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
seedM:M_cpd19055 		secondary/obsolete/fantasy identifier