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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:31956 - PD116740
Main
ChEBI Ontology
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ChEBI Name
PD116740
ChEBI ID
CHEBI:31956
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C20H16O7
Net Charge
0
Average Mass
368.338
Monoisotopic Mass
368.08960
InChI
InChI=1S/C20H16O7/c1-
27-
12-
4-
2-
3-
9-
14(12)
19(25)
16-
15(17(9)
23)
13-
10(18(24)
20(16)
26)
5-
8(7-
21)
6-
11(13)
22/h2-
6,18,20-
22,24,26H,7H2,1H3/t18-
,20-
/m1/s1
InChIKey
ZJSLMQLVFYXGOW-UYAOXDASSA-N
SMILES
COc1cccc2C(=O)C3=C([C@@H](O)[C@H](O)c4cc(CO)cc(O)c34)C(=O)c12
ChEBI Ontology
Outgoing
PD116740 (
CHEBI:31956
)
is a
p
-quinones (
CHEBI:25830
)
Synonym
Source
PD116740
KEGG COMPOUND
Manual Xref
Database
C12401
KEGG COMPOUND
View more database links
Last Modified
14 June 2016