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> Main
CHEBI:132131 - 3,5-dimethylorsellinic acid
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ChEBI Ontology
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ChEBI Name
3,5-dimethylorsellinic acid
ChEBI ID
CHEBI:132131
Definition
A member of the class of dihydroxybenzoic acids that is
o
-orsellinic acid carrying two additional methyl substituents at positions 3 and 5.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H12O4
Net Charge
0
Average Mass
196.200
Monoisotopic Mass
196.07356
InChI
InChI=1S/C10H12O4/c1-4-5(2)8(11)6(3)9(12)7(4)10(13)14/h11-12H,1-3H3,(H,13,14)
InChIKey
NZGSNQJCTOMELT-UHFFFAOYSA-N
SMILES
C=1(C(=C(C(=C(C1C)O)C(=O)O)C)C)O
Metabolite of Species
Details
Aspergillus terreus NIH2624
(NCBI:txid341663)
of strain NIH2624 See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3,5-dimethylorsellinic acid (
CHEBI:132131
)
has functional parent
o
-orsellinic acid (
CHEBI:32807
)
3,5-dimethylorsellinic acid (
CHEBI:132131
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
3,5-dimethylorsellinic acid (
CHEBI:132131
)
is a
dihydroxybenzoic acid (
CHEBI:23778
)
3,5-dimethylorsellinic acid (
CHEBI:132131
)
is a
resorcinols (
CHEBI:33572
)
3,5-dimethylorsellinic acid (
CHEBI:132131
)
is conjugate acid of
3,5-dimethylorsellinate (
CHEBI:131856
)
Incoming
3,5-dimethylorsellinate (
CHEBI:131856
)
is conjugate base of
3,5-dimethylorsellinic acid (
CHEBI:132131
)
IUPAC Name
2,4-dihydroxy-3,5,6-trimethylbenzoic acid
Synonym
Source
DMOA
ChEBI
Manual Xref
Database
CPD-17316
MetaCyc
View more database links
Registry Number
Type
Source
2645681
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22549923
PubMed citation
Europe PMC
23116177
PubMed citation
Europe PMC
25216349
PubMed citation
Europe PMC
Last Modified
06 June 2016