EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:9646 - Toxyl angelate

ChEBI IDCHEBI:9646
ChEBI NameToxyl angelate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H20O4
Net Charge0
Average Mass300.354
Monoisotopic Mass300.13616
SMILESC=C(C)[C@@H]1Oc2ccc(C(C)=O)cc2[C@H]1OC(=O)/C(C)=C\C
InChIInChI=1S/C18H20O4/c1-6-11(4)18(20)22-17-14-9-13(12(5)19)7-8-15(14)21-16(17)10(2)3/h6-9,16-17H,2H2,1,3-5H3/b11-6-/t16-,17+/m0/s1
InChIKeyLQUPQVIPBLTZNW-WGTSBNPKSA-N
ChEBI Ontology
Outgoing Relation(s)
Toxyl angelate (CHEBI:9646) is a benzofurans (CHEBI:35259)
Synonym  Source
Toxyl angelateKEGG COMPOUND
Manual XrefsDatabases
C08981KEGG COMPOUND
C00002411KNApSAcK
Registry NumbersSources
CAS:106928-36-3KEGG COMPOUND