EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:3214 - Buntanine

ChEBI IDCHEBI:3214
ChEBI NameBuntanine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H21NO5
Net Charge0
Average Mass355.390
Monoisotopic Mass355.14197
SMILESCOc1c(O)ccc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3n(C)c12
InChIInChI=1S/C20H21NO5/c1-10(2)5-6-11-15(23)9-13-16(18(11)24)19(25)12-7-8-14(22)20(26-4)17(12)21(13)3/h5,7-9,22-24H,6H2,1-4H3
InChIKeyXUUGIWDILRFFER-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Buntanine (CHEBI:3214) has functional parent acridone (CHEBI:50756)
Buntanine (CHEBI:3214) is a acridines (CHEBI:22213)
Synonym  Source
BuntanineKEGG COMPOUND
Manual XrefsDatabases
C10653KEGG COMPOUND
C00002144KNApSAcK
HMDB0038590HMDB
Registry NumbersSources
CAS:119116-85-7KEGG COMPOUND