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ChEBI
> Main
CHEBI:64546 - fumiquinazoline A
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ChEBI Name
fumiquinazoline A
ChEBI ID
CHEBI:64546
Definition
A fumiquinazoline that consists of imidazoindole and pyrazinoquinazoline units connected by a methylene group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H23N5O4
Net Charge
0
Average Mass
445.47050
Monoisotopic Mass
445.17500
InChI
InChI=1S/C24H23N5O4/c1-
12-
19-
27-
16-
9-
5-
3-
7-
14(16)
22(32)
28(19)
18(20(30)
25-
12)
11-
24(33)
15-
8-
4-
6-
10-
17(15)
29-
21(31)
13(2)
26-
23(24)
29/h3-
10,12-
13,18,23,26,33H,11H2,1-
2H3,(H,25,30)
/t12-
,13-
,18+,23-
,24-
/m0/s1
InChIKey
DQQCCKFZJNINST-VCPZKGNQSA-N
SMILES
[H][C@]12N[C@@H](C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@@H](C)c2nc3ccccc3c(=O)n12
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
fumiquinazoline A (
CHEBI:64546
)
is a
fumiquinazoline (
CHEBI:64545
)
fumiquinazoline A (
CHEBI:64546
)
is a
imidazoindole (
CHEBI:64547
)
fumiquinazoline A (
CHEBI:64546
)
is a
pyrazinoquinazoline (
CHEBI:64548
)
IUPAC Name
(1
S
,4
R
)-
4-
{[(2
S
,9
S
,9a
S
)-
9-
hydroxy-
2-
methyl-
3-
oxo-
2,3,9,9a-
tetrahydro-
1
H
-
imidazo[1,2-
a
]indol-
9-
yl]methyl}-
1-
methyl-
2
H
-
pyrazino[2,1-
b
]quinazoline-
3,6(1
H
,4
H
)-
dione
Registry Number
Type
Source
5387014
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10757098
PubMed citation
Europe PMC
10814050
PubMed citation
Europe PMC
12530882
PubMed citation
Europe PMC
20804163
PubMed citation
Europe PMC
21899262
PubMed citation
Europe PMC
Last Modified
09 May 2012