CHEBI:2925 - Aurasperone D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Aurasperone D
ChEBI ID CHEBI:2925
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H24O10
Net Charge 0
Average Mass 556.517
Monoisotopic Mass 556.13695
InChI InChI=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
InChIKey DVSATZLPJVYIRI-UHFFFAOYSA-N
SMILES COc1cc(O)c2c(O)c3c(oc(C)cc3=O)c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c(O)c4c3OC)c2c1
ChEBI Ontology
Outgoing Aurasperone D (CHEBI:2925) is a organic heterotricyclic compound (CHEBI:26979)
Aurasperone D (CHEBI:2925) is a organooxygen compound (CHEBI:36963)
Synonym Source
Aurasperone D KEGG COMPOUND
Manual Xrefs Databases
C00002416 KNApSAcK
C08995 KEGG COMPOUND
HMDB0033488 HMDB
View more database links
Registry Number Type Source
67924-64-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014