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> Main
CHEBI:53107 - aflatoxin B
1
dialdehyde
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ChEBI Name
aflatoxin B
1
dialdehyde
ChEBI ID
CHEBI:53107
ChEBI ASCII Name
aflatoxin B1 dialdehyde
Definition
A 1,4-dialdehyde compound having a hydroxy substituent at the 2-position and a 7-hydroxy-9-methoxy-3,4-dioxo-1,4-dihydro-3
H
-furo[3,4-
c
]chromen-6-yl group at the 3-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C16H12O9
Net Charge
0
Average Mass
348.26110
Monoisotopic Mass
348.04813
InChI
InChI=1S/C16H12O9/c1-
23-
10-
2-
8(19)
11(6(3-
17)
9(20)
4-
18)
14-
12(10)
7-
5-
24-
15(21)
13(7)
16(22)
25-
14/h2-
4,6,9,19-
20H,5H2,1H3
InChIKey
MTRNKJQPSSVUEH-UHFFFAOYSA-N
SMILES
[H]C(=O)C(O)C(C([H])=O)c1c(O)cc(OC)c2c3COC(=O)c3c(=O)oc12
ChEBI Ontology
Outgoing
aflatoxin B
1
dialdehyde (
CHEBI:53107
)
is a
dialdehyde (
CHEBI:38124
)
aflatoxin B
1
dialdehyde (
CHEBI:53107
)
is a
furochromene (
CHEBI:39432
)
aflatoxin B
1
dialdehyde (
CHEBI:53107
)
is conjugate acid of
aflatoxin B
1
dialdehyde(1−) (
CHEBI:133967
)
Incoming
aflatoxin B
1
dialdehyde(1−) (
CHEBI:133967
)
is conjugate base of
aflatoxin B
1
dialdehyde (
CHEBI:53107
)
IUPAC Name
2-
hydroxy-
3-
(7-
hydroxy-
9-
methoxy-
3,4-
dioxo-
1,4-
dihydro-
3
H
-
furo[3,4-
c
]chromen-
6-
yl)succinaldehyde
Citation
Type
Source
11409944
PubMed citation
Europe PMC
Last Modified
20 March 2017