EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2925 - Aurasperone D

ChEBI IDCHEBI:2925
ChEBI NameAurasperone D
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H24O10
Net Charge0
Average Mass556.523
Monoisotopic Mass556.13695
SMILESCOc1cc(O)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c(O)c4c3OC)c2c1
InChIInChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3
InChIKeyDVSATZLPJVYIRI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Aurasperone D (CHEBI:2925) is a organic heterotricyclic compound (CHEBI:26979)
Aurasperone D (CHEBI:2925) is a organooxygen compound (CHEBI:36963)
Synonym  Source
Aurasperone DKEGG COMPOUND
Manual XrefsDatabases
C08995KEGG COMPOUND
C00002416KNApSAcK
HMDB0033488HMDB
Registry NumbersSources
CAS:67924-64-5KEGG COMPOUND