RefMet Compound Details

RefMet IDRM0118325
MW structure154042 (View MW Metabolite Database details)
RefMet namePhenolsulfonphthalein   Species distribution   Sample source distribution
Alternative namePhenol red
Systematic name3,3-Bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
SMILESc1ccc2c(c1)C(c1ccc(cc1)O)(c1ccc(cc1)O)OS2(=O)=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass354.056195 (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
FormulaC19H14O5SView other entries in RefMet with this formula
InChIInChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H
InChIKeyBELBBZDIHDAJOR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassBenzofuranones
Sub ClassBenzofuranones
Pubchem CID4766
ChEBI ID31991
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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