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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:90889 - aurachin C epoxide
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ChEBI Name
aurachin C epoxide
ChEBI ID
CHEBI:90889
Definition
An epoxide resulting from the oxidation of the double bond at the 2-3 position of aurachin C.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C25H33NO3
Net Charge
0
Average Mass
395.535
Monoisotopic Mass
395.24604
InChI
InChI=1S/C25H33NO3/c1-
18(2)
10-
8-
11-
19(3)
12-
9-
13-
20(4)
16-
17-
25-
23(27)
21-
14-
6-
7-
15-
22(21)
26(28)
24(25,5)
29-
25/h6-
7,10,12,14-
16,28H,8-
9,11,13,17H2,1-
5H3/b19-
12+,20-
16+
InChIKey
FORHHPRBEFTLRM-YEFHWUCQSA-N
SMILES
C1=CC2=C(C=C1)N(C3(C(C2=O)(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O3)C)O
ChEBI Ontology
Outgoing
aurachin C epoxide (
CHEBI:90889
)
has functional parent
aurachin C (
CHEBI:90888
)
aurachin C epoxide (
CHEBI:90889
)
is a
aromatic ketone (
CHEBI:76224
)
aurachin C epoxide (
CHEBI:90889
)
is a
epoxide (
CHEBI:32955
)
aurachin C epoxide (
CHEBI:90889
)
is a
hydroxylamines (
CHEBI:24709
)
aurachin C epoxide (
CHEBI:90889
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
IUPAC Name
2-
hydroxy-
1a-
methyl-
7a-
[(2
E
,6
E
)-
3,7,11-
trimethyldodeca-
2,6,10-
trien-
1-
yl]-
1a,7a-
dihydrooxireno[
b
]quinolin-
7(2
H
)-
one
Synonyms
Sources
aurachin C 2,3-epoxide
ChEBI
aurachin C epoxide
UniProt
aurachin-C 2,3-epoxide
ChEBI
aurachin-C epoxide
ChEBI
Manual Xref
Database
CPD-15913
MetaCyc
View more database links
Citations
Types
Sources
21979787
PubMed citation
Europe PMC
22907798
PubMed citation
SUBMITTER
Last Modified
12 January 2016