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CHEBI:171856 - Reticulacinone

ChEBI IDCHEBI:171856
ChEBI NameReticulacinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H62O7
Net Charge0
Average Mass594.874
Monoisotopic Mass594.44955
SMILESCCCCCCCCCCCCC(O)C1CCC(C(O)CCCC(=O)CCCCCCC(O)CC2=CC(C)OC2=O)O1
InChIInChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3
InChIKeyVYMYUDBNVNOBII-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Reticulacinone (CHEBI:171856) is a polyketide (CHEBI:26188)
IUPAC Name 
4-[2,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-9-oxotridecyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
HMDB0041213HMDB
35015129ChemSpider