CHEBI:35046 - XE991

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name XE991
ChEBI ID CHEBI:35046
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C26H20N2O
C26H20N2O
Net Charge 0
Average Mass 376.451
Monoisotopic Mass 376.15756
InChI InChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2
InChIKey KHJFBUUFMUBONL-UHFFFAOYSA-N
SMILES O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc12
ChEBI Ontology
Outgoing XE991 (CHEBI:35046) is a anthracenes (CHEBI:46955)
Synonym Source
XE991 KEGG COMPOUND
Manual Xrefs Databases
C13779 KEGG COMPOUND
LSM-2949 LINCS
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Last Modified
25 February 2016