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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80933 - Violacene
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ChEBI Ontology
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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
View more database links
Registry Number
Type
Source
54279-01-5
CAS Registry Number
KEGG COMPOUND