CHEBI:80933 - Violacene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Violacene
ChEBI ID CHEBI:80933
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H13BrCl4
Net Charge 0
Average Mass 354.92600
Monoisotopic Mass 351.89547
InChI InChI=1S/C10H13BrCl4/c1-9(2-3-12)5-10(15,6-11)8(14)4-7(9)13/h2-3,7-8H,4-6H2,1H3/b3-2+/t7-,8+,9+,10+/m1/s1
InChIKey UJTXKWHTNURSMJ-VTLUXTFQSA-N
SMILES C[C@@]1(C[C@](Cl)(CBr)[C@@H](Cl)C[C@H]1Cl)\C=C\Cl
ChEBI Ontology
Outgoing Violacene (CHEBI:80933) is a organochlorine compound (CHEBI:36683)
Manual Xrefs Databases
C00010457 KNApSAcK
C17107 KEGG COMPOUND
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Registry Number Type Source
54279-01-5 CAS Registry Number KEGG COMPOUND