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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3885 - Cornudentanone
Main
ChEBI Ontology
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ChEBI Name
Cornudentanone
ChEBI ID
CHEBI:3885
Stars
This entity has been manually annotated by a third party.
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Formula
C22H34O5
Net Charge
0
Average Mass
378.503
Monoisotopic Mass
378.24062
InChI
InChI=1S/C22H34O5/c1-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
20(27-
17(2)
23)
15-
18-
14-
19(24)
16-
21(26-
3)
22(18)
25/h14,16,20H,4-
13,15H2,1-
3H3
InChIKey
JIUGZSYPFREDLG-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCC(CC1=CC(=O)C=C(OC)C1=O)OC(C)=O
ChEBI Ontology
Outgoing
Cornudentanone (
CHEBI:3885
)
is a
carboxylic ester (
CHEBI:33308
)
Synonym
Source
Cornudentanone
KEGG COMPOUND
Manual Xrefs
Databases
C00002810
KNApSAcK
C10320
KEGG COMPOUND
View more database links
Registry Number
Type
Source
110979-06-1
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014