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CHEBI:224483 - Penixylarin D

ChEBI IDCHEBI:224483
ChEBI NamePenixylarin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O8S
Net Charge0
Average Mass488.643
Monoisotopic Mass488.24439
SMILESCCCCC[C@@H](CCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O)OS(=O)(=O)O
InChIInChI=1S/C24H40O8S/c1-2-3-11-15-21(32-33(29,30)31)16-13-10-8-6-4-5-7-9-12-14-19-17-20(25)18-22(26)23(19)24(27)28/h17-18,21,25-26H,2-16H2,1H3,(H,27,28)(H,29,30,31)/t21-/m0/s1
InChIKeyKFMWPCQMXUAMMV-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31265288)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penixylarin D (CHEBI:224483) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
2,4-dihydroxy-6-[(12S)-12-sulooxyheptadecyl]benzoic acid
Manual XrefsDatabases
77001601ChemSpider