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CHEBI:189983 - 5-Pentacosyl-1,3-benzenediol

ChEBI IDCHEBI:189983
ChEBI Name5-Pentacosyl-1,3-benzenediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H56O2
Net Charge0
Average Mass460.787
Monoisotopic Mass460.42803
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3
InChIKeyGDJMJAKVVSGNLA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
5-Pentacosyl-1,3-benzenediol (CHEBI:189983) is a resorcinols (CHEBI:33572)
IUPAC Name 
5-pentacosylbenzene-1,3-diol
Manual XrefsDatabases
136954ChemSpider
HMDB0038485HMDB
LMPK15030007LIPID MAPS
Registry NumbersSources
CAS:70110-61-1ChemIDplus