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CHEBI:232028 - 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoate

ChEBI IDCHEBI:232028
ChEBI Name4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoate
Stars
DefinitionA monohydroxybenzoate that is the conjugate base of 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3.
Last Modified9 October 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC32H45O7
Net Charge-1
Average Mass541.705
Monoisotopic Mass541.31708
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)/p-1
InChIKeyVQHXRVUNJDHQDJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoate (CHEBI:232028) is a monohydroxybenzoate (CHEBI:25388)
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)
Incoming Relation(s)
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)
IUPAC Name 
4-[(2,4-dihydroxy-6-nonylbenzoyl)oxy]-2-hydroxy-6-nonylbenzoate
UniProt Name  Source
exophillate aglyconeUniProt
Citations