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cortalcerone

PropertiesImage
MNX_IDMNXM16850 Image of MNXM16850
referencechebi:194327
formulaC6H8O5
global charge0
mol weight160.125
InChIKeyCCBGJZIXYONESN-UHFFFAOYSA-N
InChIInChI=1S/C6H8O5/c7-4-2-1-3-11-6(4,10)5(8)9/h1-2,5,8-10H,3H2
SMILESO=C1C=CCOC1(O)C(O)O
MNX internals
InChI (mnx)InChI=1/C6H8O5/c7-4-2-1-3-11-6(4,10)5(8)9/h1-2,5,8-10H,3H2/t6? Image of MNXM16850
SMILES (mnx)[CH:1]1=[CH:2][C:4](=[O:7])[C:6]([CH:5]([OH:8])[OH:9])([OH:10])[O:11][CH2:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-17902
metacycM:CPD-17902
CHEBI:194327
chebi:194327
CCBGJZIXYONESN-UHFFFAOYSA-N 		cortalcerone
2-(dihydroxymethyl)-2-hydroxy-2H-pyran-3(6H)-one

seed.compound:cpd34962
seedM:cpd34962
CCBGJZIXYONESN-UHFFFAOYSA-N 		2-(dihydroxymethyl)-2-hydroxy-2H-pyran-3(6H)-one
cortalcerone

seedM:M_cpd34962 		secondary/obsolete/fantasy identifier