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CHEBI:232061 - 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid

ChEBI IDCHEBI:232061
ChEBI Name4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid
Stars
DefinitionA benzoate ester resulting from the formal condensation of the carboxy group of 2,4-dihydroxy-6-nonylbenzoic acid with the 4-hydroxy group of 2,4-dihydroxy-6-nonylbenzoic acid.
Last Modified3 October 2024
SubmitterAdnan
DownloadsMolfile
FormulaC32H46O7
Net Charge0
Average Mass542.713
Monoisotopic Mass542.32435
SMILESCCCCCCCCCc1cc(OC(=O)c2c(O)cc(O)cc2CCCCCCCCC)cc(O)c1C(=O)O
InChIInChI=1S/C32H46O7/c1-3-5-7-9-11-13-15-17-23-19-25(33)21-27(34)30(23)32(38)39-26-20-24(29(31(36)37)28(35)22-26)18-16-14-12-10-8-6-4-2/h19-22,33-35H,3-18H2,1-2H3,(H,36,37)
InChIKeyVQHXRVUNJDHQDJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid (CHEBI:232061) has role fungal metabolite (CHEBI:76946)
4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid (CHEBI:232061) is a benzoate ester (CHEBI:36054)
4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid (CHEBI:232061) is a monohydroxybenzoic acid (CHEBI:25389)
4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid (CHEBI:232061) is a resorcinols (CHEBI:33572)
4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid (CHEBI:232061) is conjugate acid of 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoate (CHEBI:232028)
Incoming Relation(s)
exophillic acid (CHEBI:232062) has functional parent 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid (CHEBI:232061)
4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoate (CHEBI:232028) is conjugate base of 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid (CHEBI:232061)
IUPAC Name 
4-[(2,4-dihydroxy-6-nonylbenzoyl)oxy]-2-hydroxy-6-nonylbenzoic acid
Citations