CHEBI:123390 - 2-[4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetic acid
ChEBI ID CHEBI:123390
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H27NO5
Net Charge 0
Average Mass 457.519
Monoisotopic Mass 457.18892
InChI InChI=1S/C28H27NO5/c1-28(2)13-19-25-18-7-5-4-6-16(18)8-10-20(25)29-27(26(19)21(30)14-28)17-9-11-22(23(12-17)33-3)34-15-24(31)32/h4-12,27,29H,13-15H2,1-3H3,(H,31,32)
InChIKey DWKIGRRXRTZSPG-UHFFFAOYSA-N
SMILES CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)OCC(=O)O)OC)C(=O)C1)C
ChEBI Ontology
Outgoing 2-[4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetic acid (CHEBI:123390) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-34832 LINCS
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