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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:66955 - olivetolic acid
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ChEBI Name
olivetolic acid
ChEBI ID
CHEBI:66955
Definition
A member of the class of benzoic acids that is salicylic acid in which the hydrogens
ortho
- and
para
- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H16O4
Net Charge
0
Average Mass
224.25300
Monoisotopic Mass
224.10486
InChI
InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)
InChIKey
SXFKFRRXJUJGSS-UHFFFAOYSA-N
SMILES
CCCCCc1cc(O)cc(O)c1C(O)=O
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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
olivetolic acid (
CHEBI:66955
)
has functional parent
olivetol (
CHEBI:66960
)
olivetolic acid (
CHEBI:66955
)
has role
metabolite (
CHEBI:25212
)
olivetolic acid (
CHEBI:66955
)
is a
benzoic acids (
CHEBI:22723
)
olivetolic acid (
CHEBI:66955
)
is a
monocarboxylic acid (
CHEBI:25384
)
olivetolic acid (
CHEBI:66955
)
is a
polyketide (
CHEBI:26188
)
olivetolic acid (
CHEBI:66955
)
is a
resorcinols (
CHEBI:33572
)
olivetolic acid (
CHEBI:66955
)
is conjugate acid of
olivetolate (
CHEBI:66950
)
Incoming
cannabidiolic acid (
CHEBI:3359
)
has functional parent
olivetolic acid (
CHEBI:66955
)
cannabigerolic acid (
CHEBI:67081
)
has functional parent
olivetolic acid (
CHEBI:66955
)
cannabinerolic acid (
CHEBI:67080
)
has functional parent
olivetolic acid (
CHEBI:66955
)
cytonic acid A (
CHEBI:65717
)
has functional parent
olivetolic acid (
CHEBI:66955
)
cytonic acid B (
CHEBI:65718
)
has functional parent
olivetolic acid (
CHEBI:66955
)
olivetolate (
CHEBI:66950
)
is conjugate base of
olivetolic acid (
CHEBI:66955
)
IUPAC Name
2,4-dihydroxy-6-pentylbenzoic acid
Synonyms
Sources
6-pentyl-beta-resorcylic acid
ChEBI
allazetolcarboxylic acid
ChemIDplus
olivetolcarboxylic acid
ChemIDplus
Manual Xref
Database
CPD-7165
MetaCyc
View more database links
Registry Numbers
Types
Sources
2807862
Reaxys Registry Number
Reaxys
491-72-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19454282
PubMed citation
Europe PMC
22802619
PubMed citation
Europe PMC
Last Modified
06 September 2012