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CHEBI:84342 - nogalaviketone(1−)
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ChEBI Name
nogalaviketone(1−)
ChEBI ID
CHEBI:84342
ChEBI ASCII Name
nogalaviketone(1-)
Definition
A phenolate anion obtained by deprotonation of the 5-OH group of nogalaviketone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C21H15O8
Net Charge
-1
Average Mass
395.33950
Monoisotopic Mass
395.07724
InChI
InChI=1S/C21H16O8/c1-
21(28)
7-
12(23)
14-
9(16(21)
20(27)
29-
2)
6-
10-
15(19(14)
26)
18(25)
13-
8(17(10)
24)
4-
3-
5-
11(13)
22/h3-
6,16,22,26,28H,7H2,1-
2H3/p-
1/t16-
,21-
/m0/s1
InChIKey
NIJCZTKHKOATFT-KKSFZXQISA-M
SMILES
COC(=O)[C@@H]1c2cc3C(=O)c4cccc(O)c4C(=O)c3c([O-])c2C(=O)C[C@]1(C)O
ChEBI Ontology
Outgoing
nogalaviketone(1−) (
CHEBI:84342
)
is a
phenolate anion (
CHEBI:50525
)
nogalaviketone(1−) (
CHEBI:84342
)
is conjugate base of
nogalaviketone (
CHEBI:81874
)
Incoming
nogalaviketone (
CHEBI:81874
)
is conjugate acid of
nogalaviketone(1−) (
CHEBI:84342
)
IUPAC Name
(1
R
,2
S
)-
2,7-
dihydroxy-
1-
(methoxycarbonyl)-
2-
methyl-
4,6,11-
trioxo-
1,2,3,4,6,11-
hexahydrotetracen-
5-
olate
Synonym
Source
nogalaviketone
UniProt
Manual Xref
Database
CPD-15808
MetaCyc
View more database links
Citations
Types
Sources
15071504
PubMed citation
SUBMITTER
16414075
PubMed citation
SUBMITTER
Last Modified
31 March 2015