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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:94673 - LSM-5687
Main
ChEBI Ontology
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ChEBI Name
LSM-5687
ChEBI ID
CHEBI:94673
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C24H33FO6
Net Charge
0
Average Mass
436.515
Monoisotopic Mass
436.22612
InChI
InChI=1S/C24H33FO6/c1-
21(2)
30-
19-
9-
14-
13-
8-
16(25)
15-
7-
12(27)
5-
6-
22(15,3)
20(13)
17(28)
10-
23(14,4)
24(19,31-
21)
18(29)
11-
26/h7,13-
14,16-
17,19-
20,26,28H,5-
6,8-
11H2,1-
4H3/t13-
,14+,16+,17+,19-
,20-
,22+,23+,24-
/m1/s1
InChIKey
POPFMWWJOGLOIF-YREZUZEHSA-N
SMILES
C[C@]12CCC(=O)C=C1[C@H](C[C@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F
ChEBI Ontology
Outgoing
LSM-5687 (
CHEBI:94673
)
is a
21-hydroxy steroid (
CHEBI:35344
)
Manual Xref
Database
LSM-5687
LINCS
View more database links