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(R)-demethyl-4-deoxygadusol

MNXM722837 is deprecated and here replaced by MNXM1100551
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100551 Image of MNXM1100551
referencechebi:132139
formulaC7H9O5
global charge-1
mol weight173.144
InChIKeyOWHGXOODGNBQRG-SSDOTTSWSA-M
InChIInChI=1S/C7H10O5/c8-3-7(12)1-4(9)6(11)5(10)2-7/h8-9,11-12H,1-3H2/p-1/t7-/m1/s1
SMILESO=C1C[C@@](O)(CO)CC([O-])=C1O
MNX internals
InChI (mnx)InChI=1/C7H10O5/c8-3-7(12)1-4(9)6(11)5(10)2-7/h8-9,11-12H,1-3H2/t7-/m1/s1 Image of MNXM1100551
SMILES (mnx)[CH2:1]1[C:4]([OH:9])=[C:6]([OH:11])[C:5](=[O:10])[CH2:2][C@:7]1([CH2:3][OH:8])[OH:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132139
chebi:132139
OWHGXOODGNBQRG-SSDOTTSWSA-M 		(R)-demethyl-4-deoxygadusol
(R)-demethyl-4-deoxygadusol(1-)

seed.compound:cpd32786
seedM:cpd32786
OWHGXOODGNBQRG-SSDOTTSWSA-N 		(5R)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
(R)-demethyl-4-deoxygadusol

CHEBI:132137
chebi:132137
OWHGXOODGNBQRG-SSDOTTSWSA-N 		(R)-demethyl-4-deoxygadusol

metacyc.compound:CPD-18773
metacycM:CPD-18773
OWHGXOODGNBQRG-SSDOTTSWSA-N 		(R)-demethyl-4-deoxygadusol
(5R)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

kegg.compound:C21281
keggC:C21281
OWHGXOODGNBQRG-SSDOTTSWSA-N 		Demethyl-4-deoxygadusol
2,3,5-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

keggC:M_C21281
seedM:M_cpd32786 		secondary/obsolete/fantasy identifier