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CHEBI:212937 - (3S,7R)-7-O-n-butylresorcylide

ChEBI IDCHEBI:212937
ChEBI Name(3S,7R)-7-O-n-butylresorcylide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESCCCCO[C@@H]1CCC[C@H](C)OC(=O)c2c(O)cc(O)cc2CC(=O)C1
InChIInChI=1S/C20H28O6/c1-3-4-8-25-17-7-5-6-13(2)26-20(24)19-14(9-15(21)11-17)10-16(22)12-18(19)23/h10,12-13,17,22-23H,3-9,11H2,1-2H3/t13-,17+/m0/s1
InChIKeyHUNPRLTYJQUZDJ-SUMWQHHRSA-N
Species of MetaboliteComponentSourceComments
Talaromyces rugulosus (ncbitaxon:121627) - PubMed (29135916)
ChEBI Ontology
Outgoing Relation(s)
(3S,7R)-7-O-n-butylresorcylide (CHEBI:212937) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,8R)-8-butoxy-14,16-dihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,10-dione
Manual XrefsDatabases
62816320ChemSpider