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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:48948 - demethylsulochrin
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ChEBI Ontology
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ChEBI Name
demethylsulochrin
ChEBI ID
CHEBI:48948
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C16H14O7
Net Charge
0
Average Mass
318.27816
Monoisotopic Mass
318.07395
InChI
InChI=1S/C16H14O7/c1-
7-
3-
10(18)
14(11(19)
4-
7)
15(20)
13-
9(16(21)
22)
5-
8(17)
6-
12(13)
23-
2/h3-
6,17-
19H,1-
2H3,(H,21,22)
InChIKey
XMNMFMYKFRXRFH-UHFFFAOYSA-N
SMILES
COc1cc(O)cc(C(O)=O)c1C(=O)c1c(O)cc(C)cc1O
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
demethylsulochrin (
CHEBI:48948
)
has functional parent
benzophenone (
CHEBI:41308
)
demethylsulochrin (
CHEBI:48948
)
is a
benzoic acids (
CHEBI:22723
)
demethylsulochrin (
CHEBI:48948
)
is conjugate acid of
demethylsulochrin(1−) (
CHEBI:58760
)
Incoming
sulochrin (
CHEBI:16159
)
has functional parent
demethylsulochrin (
CHEBI:48948
)
demethylsulochrin(1−) (
CHEBI:58760
)
is conjugate base of
demethylsulochrin (
CHEBI:48948
)
IUPAC Name
2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid
Synonym
Source
desmethylsulochrin
ChEBI
Manual Xrefs
Databases
C00000571
KNApSAcK
C15504
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2707761
Beilstein Registry Number
Beilstein
59092-92-1
CAS Registry Number
NIST Chemistry WebBook
Last Modified
28 July 2014