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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:135834 - formocortal
Main
ChEBI Ontology
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ChEBI Name
formocortal
ChEBI ID
CHEBI:135834
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C29H38ClFO8
Net Charge
0
Average Mass
569.060
Monoisotopic Mass
568.22392
InChI
InChI=1S/C29H38ClFO8/c1-
16(33)
37-
15-
23(35)
29-
24(38-
25(2,3)
39-
29)
12-
20-
21-
10-
17(14-
32)
19-
11-
18(36-
9-
8-
30)
6-
7-
26(19,4)
28(21,31)
22(34)
13-
27(20,29)
5/h11,14,20-
22,24,34H,6-
10,12-
13,15H2,1-
5H3/t20-
,21-
,22-
,24+,26-
,27-
,28-
,29+/m0/s1
InChIKey
QNXUUBBKHBYRFW-QWAPGEGQSA-N
SMILES
C(COC(C)
=O)
(=O)
[C@]
12[C@]
3(C)
[C@@]
(C[C@]
1(OC(O2)
(C)
C)
[H]
)
([C@]
4([C@@]
([C@H]
(C3)
O)
(F)
[C@]
5(C)
C(=C(C4)
C=O)
C=C(CC5)
OCCCl)
[H]
)
[H]
ChEBI Ontology
Outgoing
formocortal (
CHEBI:135834
)
has parent hydride
pregnane (
CHEBI:8386
)
formocortal (
CHEBI:135834
)
is a
steroid (
CHEBI:35341
)
Synonyms
Sources
cutisterol
DrugCentral
deflamene
DrugCentral
fluoformylon
DrugCentral
fluoroformylon
DrugCentral
fluoroformylone
DrugCentral
Manual Xref
Database
3245
DrugCentral
View more database links
Registry Number
Type
Source
2825-60-7
CAS Registry Number
DrugCentral
Last Modified
23 February 2017