EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:46041 - 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE

Default Structure
ChEBI IDCHEBI:46041
ChEBI Name4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE
Stars
DownloadsMolfile
FormulaC21H20N2O6
Net Charge0
Average Mass396.399
Monoisotopic Mass396.13214
SMILES[H]OC1=C(C(=O)N([H])[H])C(=O)[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@@]2([H])C1=C(O[H])c1c(c([H])c3c([H])c([H])c([H])c(O[H])c3c1O[H])C2([H])[H]
InChIInChI=1S/C21H20N2O6/c1-23(2)16-10-7-9-6-8-4-3-5-11(24)12(8)17(25)13(9)18(26)14(10)19(27)15(20(16)28)21(22)29/h3-6,10,16,24-27H,7H2,1-2H3,(H2,22,29)/t10-,16+/m1/s1
InChIKeyCSMTWDGQMUIMDU-HWPZZCPQSA-N
ChEBI Ontology
Outgoing Relation(s)
4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE (CHEBI:46041) is a unclassifieds (CHEBI:27189)
Synonym  Source
4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDEPDBeChem
Manual XrefsDatabases
TNCPDBeChem