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ChEBI
> Main
CHEBI:78577 - aflatoxin M
1
8,9-epoxide
Main
ChEBI Ontology
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ChEBI Name
aflatoxin M
1
8,9-epoxide
ChEBI ID
CHEBI:78577
ChEBI ASCII Name
aflatoxin M1 8,9-epoxide
Definition
A member of the class of aflatoxins that is obtained by the formal epoxidation across the 8,9-double bond of aflatoxin M
1
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Bijay
Supplier Information
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Formula
C17H12O8
Net Charge
0
Average Mass
344.27240
Monoisotopic Mass
344.05322
InChI
InChI=1S/C17H12O8/c1-
21-
7-
4-
8-
11(17(20)
13-
15(24-
13)
25-
16(17)
22-
8)
12-
10(7)
5-
2-
3-
6(18)
9(5)
14(19)
23-
12/h4,13,15-
16,20H,2-
3H2,1H3/t13-
,15-
,16-
,17-
/m0/s1
InChIKey
XRWIIRKFSUFIPZ-HJWJTTGWSA-N
SMILES
COc1cc2O[C@H]3O[C@@H]4O[C@@H]4[C@@]3(O)c2c2oc(=O)c3C(=O)CCc3c12
Roles Classification
Biological Role
(s):
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
mycotoxin
Poisonous substance produced by fungi.
(via
aflatoxin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
aflatoxin M
1
8,9-epoxide (
CHEBI:78577
)
has functional parent
aflatoxin M
1
(
CHEBI:78576
)
aflatoxin M
1
8,9-epoxide (
CHEBI:78577
)
has role
xenobiotic metabolite (
CHEBI:76206
)
aflatoxin M
1
8,9-epoxide (
CHEBI:78577
)
is a
aflatoxin (
CHEBI:22271
)
aflatoxin M
1
8,9-epoxide (
CHEBI:78577
)
is a
aromatic ether (
CHEBI:35618
)
aflatoxin M
1
8,9-epoxide (
CHEBI:78577
)
is a
aromatic ketone (
CHEBI:76224
)
aflatoxin M
1
8,9-epoxide (
CHEBI:78577
)
is a
cyclic ketal (
CHEBI:59779
)
aflatoxin M
1
8,9-epoxide (
CHEBI:78577
)
is a
epoxide (
CHEBI:32955
)
aflatoxin M
1
8,9-epoxide (
CHEBI:78577
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(6a
S
,7a
S
,8a
R
,8b
S
)-
8b-
hydroxy-
4-
methoxy-
2,3,6a,7a,8a,8b-
hexahydrocyclopenta[
c
]oxireno[4',5']furo[3',2':4,5]furo[2,3-
h
]chromene-
1,10-
dione
Synonyms
Sources
Aflatoxin-M1-8,9-epoxide
KEGG COMPOUND
AFM1E
SUBMITTER
Manual Xref
Database
C19594
KEGG COMPOUND
View more database links
Registry Number
Type
Source
161596-64-1
CAS Registry Number
KEGG COMPOUND
Last Modified
11 August 2014