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ontologies
ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_32807
http://purl.obolibrary.org/obo/CHEBI_32807
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_32807
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Preferred name
o-orsellinic acid
Synonyms
Orsellinsaeure
4,6-Dihydroxy-o-toluic acid
2,4-dihydroxy-6-methylbenzoic acid
orsellinic acid
o-Orsellinic acid
orsellic acid
2,4-Dihydroxy-6-methylbenzoic acid
Definitions
A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:7791
CHEBI:25621
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_76507
http://purl.obolibrary.org/obo/CHEBI_76946
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CC1=C(C(O)=O)C(O)=CC(O)=C1
obo_purl:charge
0
obo_purl:inchikey
AMKYESDOVDKZKV-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76507
http://purl.obolibrary.org/obo/CHEBI_76946
oboinowl_gen:hasDbXref
PMID:20630753
Beilstein:2211027
KNApSAcK:C00000487
Wikipedia:Orsellinic_acid
LINCS:LSM-20972
KEGG:C01839
PMID:19666480
PDBeChem:6X7
PMID:13869400
Reaxys:2211027
PMID:25537370
MetaCyc:CPD-47
PMID:21879714
PMID:4399350
PMID:20174687
LIPID_MAPS_instance:LMPK13010001
PMID:5311576
CAS:480-64-8
obo_purl:IAO_0000115
A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group.
skos:notation
CHEBI:32807
oboinowl_gen:hasExactSynonym
2,4-dihydroxy-6-methylbenzoic acid
o-Orsellinic acid
obo_purl:mass
168.148
obo_purl:inchi
InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
obo_purl:formula
C8H8O4
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_16162
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
Orsellinsaeure
4,6-Dihydroxy-o-toluic acid
orsellinic acid
orsellic acid
2,4-Dihydroxy-6-methylbenzoic acid
oboinowl_gen:id
CHEBI:32807
rdfs:label
o-orsellinic acid
obo_purl:monoisotopicmass
168.04226
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_23778
http://purl.obolibrary.org/obo/CHEBI_33572
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