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valienone

PropertiesImage
MNX_IDMNXM9224 Image of MNXM9224
referencechebi:111521
formulaC7H10O5
global charge0
mol weight174.152
InChIKeyWQMTVIWUDHFWNR-VQVTYTSYSA-N
InChIInChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,5-8,10-12H,2H2/t5-,6+,7+/m1/s1
SMILESO=C1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,5-8,10-12H,2H2/t5-,6+,7+/m1/s1 Image of MNXM9224
SMILES (mnx)[CH:1]1=[C:3]([CH2:2][OH:8])[C@@H:5]([OH:10])[C@H:7]([OH:12])[C@@H:6]([OH:11])[C:4]1=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-9665
metacycM:CPD-9665
seed.compound:cpd25779
seedM:cpd25779
CHEBI:111521
chebi:111521
WQMTVIWUDHFWNR-VQVTYTSYSA-N 		valienone
(4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-one

kegg.compound:C17696
keggC:C17696
WQMTVIWUDHFWNR-VQVTYTSYSA-N 		Valienone

keggC:M_C17696
seedM:M_cpd25779 		secondary/obsolete/fantasy identifier