CHEBI:107409 - 9,10-dioxo-1-anthracenecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9,10-dioxo-1-anthracenecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester
ChEBI ID CHEBI:107409
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H19NO5
Net Charge 0
Average Mass 413.423
Monoisotopic Mass 413.12632
InChI InChI=1S/C25H19NO5/c1-14-7-5-12-20(15(14)2)26-21(27)13-31-25(30)19-11-6-10-18-22(19)24(29)17-9-4-3-8-16(17)23(18)28/h3-12H,13H2,1-2H3,(H,26,27)
InChIKey VRAKKOVOEZOSBS-UHFFFAOYSA-N
SMILES CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C
ChEBI Ontology
Outgoing 9,10-dioxo-1-anthracenecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester (CHEBI:107409) is a anthraquinone (CHEBI:22580)
Manual Xref Database
LSM-18763 LINCS
View more database links
Last Modified
09 June 2016