CHEBI:79999 - XCT 790

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ChEBI Name XCT 790
ChEBI ID CHEBI:79999
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H13F9N4O3S
Net Charge 0
Average Mass 596.42500
Monoisotopic Mass 596.05646
InChI InChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+
InChIKey HQFNFOOGGLSBBT-AWNIVKPZSA-N
SMILES COc1cc(ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F)\C=C(/C#N)C(=O)Nc1nnc(s1)C(F)(F)F
ChEBI Ontology
Outgoing XCT 790 (CHEBI:79999) is a cinnamamides (CHEBI:23247)
Manual Xref Database
C15641 KEGG COMPOUND
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Registry Number Type Source
725247-18-7 CAS Registry Number KEGG COMPOUND