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ChEBI
> Main
CHEBI:8353 - Pradimicinone II
Main
ChEBI Ontology
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ChEBI Name
Pradimicinone II
ChEBI ID
CHEBI:8353
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C28H23NO12
Net Charge
0
Average Mass
565.483
Monoisotopic Mass
565.12203
InChI
InChI=1S/C28H23NO12/c1-
7-
4-
10-
15(22(33)
13(7)
27(38)
29-
8(2)
28(39)
40)
16-
17(26(37)
21(10)
32)
25(36)
19-
18(24(16)
35)
20(31)
11-
5-
9(41-
3)
6-
12(30)
14(11)
23(19)
34/h4-
6,8,21,26,30,32-
33,35-
37H,1-
3H3,(H,29,38)
(H,39,40)
/t8?,21-
,26-
/m0/s1
InChIKey
SBIJXMUETDVEQB-CJERNAKNSA-N
SMILES
COc1cc(O)c2C(=O)c3c(O)c4[C@H](O)[C@@H](O)c5cc(C)c(C(=O)NC(C)C(O)=O)c(O)c5-c4c(O)c3C(=O)c2c1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Pradimicinone II (
CHEBI:8353
)
is a
p
-quinones (
CHEBI:25830
)
Pradimicinone II (
CHEBI:8353
)
is a
carboxylic acid (
CHEBI:33575
)
Pradimicinone II (
CHEBI:8353
)
is a
tetracenes (
CHEBI:51270
)
Synonym
Source
Pradimicinone II
KEGG COMPOUND
Manual Xrefs
Databases
C00016804
KNApSAcK
C06780
KEGG COMPOUND
View more database links
Last Modified
06 June 2016