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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4633 - Diospyrin
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ChEBI Ontology
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ChEBI Name
Diospyrin
ChEBI ID
CHEBI:4633
Stars
This entity has been manually annotated by a third party.
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Formula
C22H14O6
Net Charge
0
Average Mass
374.344
Monoisotopic Mass
374.07904
InChI
InChI=1S/C22H14O6/c1-
9-
5-
12-
19(16(25)
6-
9)
17(26)
8-
13(21(12)
27)
18-
10(2)
7-
11-
14(23)
3-
4-
15(24)
20(11)
22(18)
28/h3-
8,25,28H,1-
2H3
InChIKey
WRFTYMHHWSAKSK-UHFFFAOYSA-N
SMILES
Cc1cc(O)c2C(=O)C=C(C(=O)c2c1)c1c(C)cc2C(=O)C=CC(=O)c2c1O
ChEBI Ontology
Outgoing
Diospyrin (
CHEBI:4633
)
is a
hydroxy-1,4-naphthoquinone (
CHEBI:132157
)
Diospyrin (
CHEBI:4633
)
is a
ring assembly (
CHEBI:36820
)
Synonym
Source
Diospyrin
KEGG COMPOUND
Manual Xrefs
Databases
C00002816
KNApSAcK
C10332
KEGG COMPOUND
View more database links
Registry Number
Type
Source
28164-57-0
CAS Registry Number
KEGG COMPOUND
Last Modified
09 June 2016