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ChEBI
> Main
CHEBI:146003 - julichrome Q
6-6
(1−)
Main
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ChEBI Name
julichrome Q
6-6
(1−)
ChEBI ID
CHEBI:146003
ChEBI ASCII Name
julichrome Q6-6(1-)
Definition
A phenolate anion resulting from the deprotonation of the hydroxy group on the middle ring of one of the two dihydroanthracene groups of julichrome Q
6-6
. The major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C38H37O12
Net Charge
-1
Average Mass
685.703
Monoisotopic Mass
685.22905
InChI
InChI=1S/C38H38O12/c1-
15(49-
17(3)
39)
31-
23-
11-
19-
7-
9-
21(33(43)
27(19)
35(45)
29(23)
25(41)
13-
37(31,5)
47)
22-
10-
8-
20-
12-
24-
30(36(46)
28(20)
34(22)
44)
26(42)
14-
38(6,48)
32(24)
16(2)
50-
18(4)
40/h7-
12,15-
16,31-
32,43-
48H,13-
14H2,1-
6H3/p-
1/t15-
,16-
,31-
,32-
,37+,38+/m1/s1
InChIKey
UYEWMDUNNUBCMC-WJUADSEPSA-M
SMILES
C1(=C(C=CC2=C1C(=C3C(=C2)
[C@]
([C@@]
(CC3=O)
(C)
O)
([C@@H]
(C)
OC(C)
=O)
[H]
)
O)
C4=C(C5=C(C=C4)
C=C6C(=C5[O-
]
)
C(C[C@]
([C@@]
6([C@@H]
(C)
OC(C)
=O)
[H]
)
(C)
O)
=O)
O)
O
ChEBI Ontology
Outgoing
julichrome Q
6-6
(1−) (
CHEBI:146003
)
is a
phenolate anion (
CHEBI:50525
)
julichrome Q
6-6
(1−) (
CHEBI:146003
)
is conjugate base of
julichrome Q
6-6
(
CHEBI:145987
)
Incoming
julichrome Q
6-6
(
CHEBI:145987
)
is conjugate acid of
julichrome Q
6-6
(1−) (
CHEBI:146003
)
IUPAC Name
(5
S
,5'
S
,6
S
,6'
S
)-
5,5'-
bis[(1
R
)-
1-
acetoxyethyl]-
1,1',6,6',9'-
pentahydroxy-
6,6'-
dimethyl-
8,8'-
dioxo-
5,5',6,6',7,7',8,8'-
octahydro[2,2'-
bianthracen]-
9-
olate
Synonym
Source
julichrome Q
6-6
UniProt
Citations
Types
Sources
24746278
PubMed citation
Europe PMC
31135188
PubMed citation
Europe PMC
Last Modified
07 February 2020