CHEBI:105178 - 4-[[7-methoxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[7-methoxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid
ChEBI ID CHEBI:105178
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H11F3O6
Net Charge 0
Average Mass 380.272
Monoisotopic Mass 380.05077
InChI InChI=1S/C18H11F3O6/c1-25-11-6-7-12-13(8-11)27-16(18(19,20)21)15(14(12)22)26-10-4-2-9(3-5-10)17(23)24/h2-8H,1H3,(H,23,24)
InChIKey XEUVVQCUBIMVHD-UHFFFAOYSA-N
SMILES COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)C(=O)O
ChEBI Ontology
Outgoing 4-[[7-methoxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid (CHEBI:105178) is a chromones (CHEBI:23238)
Manual Xref Database
LSM-16541 LINCS
View more database links