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CHEBI:185552 - 5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)resorcinol

ChEBI IDCHEBI:185552
ChEBI Name5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)resorcinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O2
Net Charge0
Average Mass392.583
Monoisotopic Mass392.27153
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCc1cc(O)cc(O)c1
InChIInChI=1S/C27H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h3-4,6-7,9-10,12-13,15-16,18-19,22-24,28-29H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyQWMMZXHJINOJSZ-KUBAVDMBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)resorcinol (CHEBI:185552) is a resorcinols (CHEBI:33572)
IUPAC Name 
5-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]benzene-1,3-diol
Manual XrefsDatabases
LMPK15030038LIPID MAPS
10473572ChemSpider