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CHEBI:144065 - isoskyrin
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ChEBI Ontology
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ChEBI Name
isoskyrin
ChEBI ID
CHEBI:144065
Definition
A member of the class of bianthracenes resulting from the oxidative dimerisation of emodin between position 4 of one molecule and position 5 of the other.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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Formula
C30H18O10
Net Charge
0
Average Mass
538.464
Monoisotopic Mass
538.09000
InChI
InChI=1S/C30H18O10/c1-
9-
3-
12-
20(14(32)
4-
9)
29(39)
24-
18(36)
8-
17(35)
22(26(24)
27(12)
37)
19-
10(2)
5-
15(33)
23-
25(19)
28(38)
13-
6-
11(31)
7-
16(34)
21(13)
30(23)
40/h3-
8,31-
36H,1-
2H3
InChIKey
ZYHXFTQSOKDEDR-UHFFFAOYSA-N
SMILES
C1=2C(=CC(=CC2C(C=3C(=C(C=C(C3C1=O)O)O)C=4C=5C(C=6C=C(C=C(C6C(C5C(=CC4C)O)=O)O)O)=O)=O)C)O
ChEBI Ontology
Outgoing
isoskyrin (
CHEBI:144065
)
has functional parent
emodin (
CHEBI:42223
)
isoskyrin (
CHEBI:144065
)
is a
bianthracenes (
CHEBI:145988
)
IUPAC Name
2,4,4',5,5',7'-hexahydroxy-2',7-dimethyl[1,1'-bianthracene]-9,9',10,10'-tetrone
Synonym
Source
2,4,4',5,5',7'-hexahydroxy-2',7-dimethyl-1,1'-bianthraquinone
ChEBI
Citation
Type
Source
14068708
PubMed citation
Europe PMC
Last Modified
04 February 2020