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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:135986 - fluclorolone
Main
ChEBI Ontology
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ChEBI Name
fluclorolone
ChEBI ID
CHEBI:135986
Stars
This entity has been manually annotated by a third party.
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Formula
C21H25Cl2FO5
Net Charge
0
Average Mass
447.325
Monoisotopic Mass
446.10631
InChI
InChI=1S/C21H25Cl2FO5/c1-
18-
4-
3-
10(26)
5-
13(18)
14(24)
6-
12-
11-
7-
16(27)
21(29,17(28)
9-
25)
19(11,2)
8-
15(22)
20(12,18)
23/h3-
5,11-
12,14-
16,25,27,29H,6-
9H2,1-
2H3/t11-
,12-
,14-
,15-
,16+,18-
,19-
,20-
,21-
/m0/s1
InChIKey
VTWKPILBIUBMDS-OTJLYDAYSA-N
SMILES
Cl[C@@]
12[C@]
([C@]
3([C@@]
(C[C@@H]
1Cl)
(C)
[C@]
([C@@H]
(C3)
O)
(C(CO)
=O)
O)
[H]
)
(C[C@@H]
(C=4[C@]
2(C)
C=CC(C4)
=O)
F)
[H]
ChEBI Ontology
Outgoing
fluclorolone (
CHEBI:135986
)
is a
21-hydroxy steroid (
CHEBI:35344
)
Manual Xref
Database
4546
DrugCentral
View more database links
Registry Number
Type
Source
3693-38-7
CAS Registry Number
DrugCentral
Last Modified
23 February 2017