RefMet Compound Details

RefMet IDRM0118014
MW structure67611 (View MW Metabolite Database details)
RefMet nameResazurin
Systematic name7-hydroxy-10-oxido-phenoxazin-10-ium-3-one
SMILESc1cc2c(cc1O)oc1cc(=O)ccc1[n+]2[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass229.037509 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC12H7NO4View other entries in RefMet with this formula
InChIInChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H
InChIKeyPLXBWHJQWKZRKG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassBenzoxazines
Sub ClassPhenoxazines
Pubchem CID11077
ChEBI ID8806
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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