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isoepoxydon

PropertiesImage
MNX_IDMNXM148289 Image of MNXM148289
referencechebi:145109
formulaC7H8O4
global charge0
mol weight156.137
InChIKeyVTLJDPHPVHSVGR-JHYUDYDFSA-N
InChIInChI=1S/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2/t4-,6+,7-/m0/s1
SMILESO=C1C(CO)=C[C@H](O)[C@H]2O[C@@H]12
MNX internals
InChI (mnx)InChI=1/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2/t4-,6+,7-/m0/s1 Image of MNXM148289
SMILES (mnx)[CH:1]1=[C:3]([CH2:2][OH:8])[C:5](=[O:10])[C@H:7]2[C@@H:6]([C@H:4]1[OH:9])[O:11]2
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
IdentifierDescription

CHEBI:145109
chebi:145109
VTLJDPHPVHSVGR-JHYUDYDFSA-N 		isoepoxydon
(+)-isoepoxydon
(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
(4S,5R,6R)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one

seed.compound:cpd35681
seedM:cpd35681
VTLJDPHPVHSVGR-JHYUDYDFSA-N 		(4S,5R,6R)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one
isoepoxydon

metacyc.compound:CPD-16723
metacycM:CPD-16723
VTLJDPHPVHSVGR-JHYUDYDFSA-N 		isoepoxydon
(4R,5S,6S)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one

seedM:M_cpd35681 		secondary/obsolete/fantasy identifier